SCHEMBL17031841

SCHEMBL17031841

CC(C)(C)C1CC(=O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ANPEP P15144 3/20 0.42
HTR2A P28223 7/20 0.41
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
CYP2A6 P11509 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HRH1 P35367 4/20 0.36
HTR2C P28335 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL24119518 0.78 CYP1A2 (0.52) CYP1A2ANPEPHTR2ACYP2A6HRH1
SCHEMBL6653008 0.76 CYP1A2 (0.48) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL24119292 0.75 HTR2A (0.35) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL3800822 0.72 CYP1A2 (0.48) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL17050195 0.72 ANPEP (0.55) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL20992176 0.72 CYP1A2 (0.48) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL17039147 0.71 HTR2A (0.44) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL19368260 0.71 HTR2A (0.44) CYP1A2ANPEPHTR2ATP53RECQL
SCHEMBL11144393 0.71 CYP1A2 (0.58) CYP1A2ANPEPHTR2ACYP2A6HRH1
SCHEMBL12237554 0.70 ADORA3 (0.41) MAPTHTR2CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689409-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-16 US disclosed
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 US disclosed
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 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-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-20150239894-A1 Amino 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-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239868-A1 Alkyne 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 CYP1A2 730/4885ANPEP 1923/4885HTR2A 3375/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI CYP1A2 3938/4885ANPEP 1284/4885HTR2A 2456/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH CYP1A2 4762/4885ANPEP 1307/4885HTR2A 4551/4885
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 CYP1A2 4580/4885ANPEP 271/4885HTR2A 2853/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI CYP1A2 3938/4885ANPEP 1284/4885HTR2A 2456/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CYP1A2 3335/4885ANPEP 967/4885HTR2A 4176/4885
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 CYP1A2 1984/4885ANPEP 2312/4885HTR2A 1471/4885
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 CYP1A2 2103/4885ANPEP 1985/4885HTR2A 1444/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 CYP1A2 2103/4885ANPEP 1985/4885HTR2A 1444/4885
US-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH CYP1A2 2371/4885ANPEP 627/4885HTR2A 3026/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP CYP1A2 4758/4885ANPEP 879/4885HTR2A 4255/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CYP1A2 4580/4885ANPEP 271/4885HTR2A 2853/4885
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 CYP1A2 2820/4885ANPEP 2493/4885HTR2A 3863/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 CYP1A2 2820/4885ANPEP 2493/4885HTR2A 3863/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 CYP1A2 4302/4885ANPEP 1084/4885HTR2A 3604/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CYP1A2 2103/4885ANPEP 1985/4885HTR2A 1444/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CYP1A2 4302/4885ANPEP 1084/4885HTR2A 3604/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 CYP1A2 4580/4885ANPEP 271/4885HTR2A 2853/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP CYP1A2 4758/4885ANPEP 879/4885HTR2A 4255/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH CYP1A2 3905/4885ANPEP 2924/4885HTR2A 4768/4885

“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.