SCHEMBL9922840

SCHEMBL9922840

CN(C)CCNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1Cl)C2=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
P2RY12 Q9H244 3/20 0.39
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
APP P05067 3/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
FBP1 P09467 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
SCHEMBL12160860 0.94 P2RY12 (0.41) GRM1P2RY12KMT2AALDH1A1PSEN1
SCHEMBL12177204 0.93 GRM1 (0.41) GRM1KMT2AMEN1GAACASP6
SCHEMBL9922319 0.92 GRM1 (0.41) GRM1P2RY12KMT2APSEN1PSEN2
SCHEMBL12160784 0.91 P2RY12 (0.43) P2RY12KMT2AALDH1A1PSEN1PSEN2
SCHEMBL9923131 0.90 GRM1 (0.42) GRM1P2RY12PSEN1PSEN2APH1B
SCHEMBL12160934 0.88 FBP1 (0.38) P2RY12KMT2AALDH1A1PSEN1PSEN2
SCHEMBL9923132 0.88 GRM1 (0.39) GRM1P2RY12KMT2APSEN1PSEN2
SCHEMBL9922596 0.88 P2RY12 (0.44) GRM1P2RY12PSEN1PSEN2APH1B
SCHEMBL9922846 0.87 PSEN1 (0.42) GRM1P2RY12ALDH1A1PSEN1PSEN2
SCHEMBL12160968 0.87 GRM1 (0.42) GRM1P2RY12KMT2APSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 GRM1 2651/4885P2RY12 19/4885KMT2A 3009/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 GRM1 2094/4885P2RY12 89/4885KMT2A 3608/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 GRM1 2621/4885P2RY12 18/4885KMT2A 3023/4885

“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.