SCHEMBL17031849

SCHEMBL17031849

COc1ccn2ccc(C(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
LPAR1 Q92633 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL19489706 0.83 GRM2 (0.38) GRM2HTR2AHTR2CBAZ2BBAZ2A
SCHEMBL17033291 0.75 ACHE (0.39) CA1CA2GRM2ALDH1A1GAA
SCHEMBL24656136 0.73 EPHB3 (0.43) CA1CA2GRM2ALDH1A1GAA
SCHEMBL18307740 0.70 HSPA5 (0.36) ALDH1A1GAAMAPTNOS3NOS1
SCHEMBL19240143 0.70 HTR2C (0.37) ALDH1A1GAAHTR2AHTR2CLPAR1
SCHEMBL17039302 0.70 MAPT (0.39) GRM2ALDH1A1HTR2AHTR2CBAZ2B
SCHEMBL26131216 0.69 ALDH1A1 (0.53) CA1CA2ALDH1A1MAPTCA12
SCHEMBL344208 0.69 KDM4E (0.43) ALDH1A1GAAMAPTNPSR1RXFP1
SCHEMBL13249598 0.68 ALDH1A1 (0.37) CA2ALDH1A1GAAMAPTMEN1
SCHEMBL21534526 0.68 HTR2C (0.36) GRM2ALDH1A1GAAHTR2AHTR2C

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 57 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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 US disclosed
US-10428095-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-08-06 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-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-31 US disclosed
US-10189869-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-29 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-20150239868-A1 Alkyne 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-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic 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-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 CA1 4833/4885CA2 4462/4885GRM2 4533/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI CA1 3399/4885CA2 3284/4885GRM2 3253/4885
US-10428095-B2 Compounds for treatment of complement mediated disorders CFD, TFPI, CFH CA1 2078/4885CA2 3629/4885GRM2 4174/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH CA1 2078/4885CA2 3629/4885GRM2 4174/4885
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 CA1 2728/4885CA2 3823/4885GRM2 2455/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI CA1 4751/4885CA2 4184/4885GRM2 4737/4885
US-10189869-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 CA1 2728/4885CA2 3823/4885GRM2 2455/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 CA1 4302/4885CA2 4252/4885GRM2 3238/4885
US-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 CA1 4302/4885CA2 4252/4885GRM2 3238/4885
US-10370394-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders CFD, C9, CFH CA1 554/4885CA2 928/4885GRM2 3954/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP CA1 2493/4885CA2 3626/4885GRM2 3031/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CA1 2728/4885CA2 3823/4885GRM2 2455/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 CA1 3111/4885CA2 4172/4885GRM2 3529/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 CA1 1983/4885CA2 3506/4885GRM2 3215/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 CA1 4302/4885CA2 4252/4885GRM2 3238/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 CA1 1983/4885CA2 3506/4885GRM2 3215/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 CA1 2728/4885CA2 3823/4885GRM2 2455/4885
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH CA1 2078/4885CA2 3629/4885GRM2 4174/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP CA1 2493/4885CA2 3626/4885GRM2 3031/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH CA1 554/4885CA2 928/4885GRM2 3954/4885

“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.