SCHEMBL9922443

SCHEMBL9922443

COc1ccc2c(=O)n(C)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRA2 P47869 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.45
IP6K1 Q92551 1/20 0.43
FGFR1 P11362 1/20 0.43
CYP1A2 P05177 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL30648059 0.87 KDM4E (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9922441 0.87 KDM4E (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1796413 0.80 ESR2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7600928 0.78 L3MBTL1 (0.49) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL4728366 0.77 HDAC6 (0.59) KDM4EL3MBTL1IP6K1SMN1; SMN2
SCHEMBL5312155 0.77 L3MBTL1 (0.48) KDM4EL3MBTL1IP6K1
SCHEMBL30186355 0.77 ESR1 (0.62) KDM4EL3MBTL1IP6K1
SCHEMBL9919057 0.77 F2RL3 (0.51) KDM4EL3MBTL1IP6K1CYP1A2RAB9A
SCHEMBL12177224 0.77 L3MBTL1 (0.48) KDM4EL3MBTL1IP6K1
SCHEMBL1500289 0.77 L3MBTL1 (0.48) KDM4EL3MBTL1IP6K1SMN1; SMN2KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 (3 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 GABRA1 1236/4885GABRG2 999/4885GABRB3 2271/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 GABRA1 1922/4885GABRG2 1504/4885GABRB3 2778/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 GABRA1 1211/4885GABRG2 994/4885GABRB3 2253/4885

“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.