SCHEMBL17031876

SCHEMBL17031876

CCC(=O)C1=CCCC1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AB1 P08238 1/20 0.31
F2 P00734 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17036679 0.80 MEN1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL17031879 0.76 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1CHRNA7F2
SCHEMBL1783162 0.70
SCHEMBL30534203 0.69 CHRNB2 (0.69) CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL12102742 0.69 CHRNB2 (0.69) CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL13852164 0.66 MAPT (0.33) ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL18562240 0.66 TLR4 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL1463307 0.62 CHRNB2 (0.36) CHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL12491829 0.61 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1CHRNA7F2
SCHEMBL5964811 0.60 ALDH1A1 (0.35) CHRNB2CHRNA4ALDH1A1CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (20 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI CHRNB2 4297/4885CHRNA4 4838/4885ALDH1A1 3312/4885
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CHRNB2 4799/4885CHRNA4 4825/4885ALDH1A1 3393/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CHRNB2 4119/4885CHRNA4 4771/4885ALDH1A1 1847/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CHRNB2 4048/4885CHRNA4 4758/4885ALDH1A1 1682/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CHRNB2 4194/4885CHRNA4 4415/4885ALDH1A1 3904/4885
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CHRNB2 4663/4885CHRNA4 4818/4885ALDH1A1 2717/4885
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH CHRNB2 4799/4885CHRNA4 4825/4885ALDH1A1 3393/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CHRNB2 3504/4885CHRNA4 4137/4885ALDH1A1 2338/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH CHRNB2 3430/4885CHRNA4 4027/4885ALDH1A1 2261/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CHRNB2 3504/4885CHRNA4 4137/4885ALDH1A1 2338/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH CHRNB2 4473/4885CHRNA4 4821/4885ALDH1A1 3650/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CHRNB2 4714/4885CHRNA4 4868/4885ALDH1A1 3412/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CHRNB2 4809/4885CHRNA4 4874/4885ALDH1A1 4405/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH CHRNB2 4809/4885CHRNA4 4874/4885ALDH1A1 4405/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 CHRNB2 2283/4885CHRNA4 3366/4885ALDH1A1 2728/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CHRNB2 2088/4885CHRNA4 3415/4885ALDH1A1 1886/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CHRNB2 2656/4885CHRNA4 3477/4885ALDH1A1 2385/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP CHRNB2 2811/4885CHRNA4 3951/4885ALDH1A1 3727/4885
US-20160362399-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CHRNB2 4010/4885CHRNA4 4790/4885ALDH1A1 2737/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH CHRNB2 1573/4885CHRNA4 2098/4885ALDH1A1 2381/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.