SCHEMBL9919059

SCHEMBL9919059

Cn1ccc2cc(NCCCN3CCCC3)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RAD52 P43351 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TERT O14746 3/20 0.40
POT1 Q9NUX5 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
BACE1 P56817 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39

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
SCHEMBL9919047 0.99 HRH3 (0.43) NPC1RAB9ARAD52L3MBTL1HRH3
SCHEMBL9919046 0.93 KAT2B (0.43) RAD52TERTPOT1
SCHEMBL9919038 0.91 KAT2B (0.44) NPC1RAB9AMAPTHTTTERT
SCHEMBL9919048 0.90 NPC1 (0.56) NPC1RAB9ARAD52L3MBTL1KDM4E
SCHEMBL9919045 0.82 NPC1 (0.47) NPC1RAB9ARAD52L3MBTL1KDM4E
SCHEMBL9919036 0.80 AR (0.42) KDM4EMAPT
SCHEMBL9919075 0.79 SYK (0.47) NPC1RAB9AHRH3TERTPOT1
SCHEMBL9919077 0.78 HRH3 (0.48) NPC1RAB9AHRH3TERTPOT1
SCHEMBL9919044 0.77 ELANE (0.42) KDM4EMAPT
SCHEMBL9919037 0.77 RAD52 (0.42) RAD52TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US 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-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 (4 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 NPC1 3119/4885RAB9A 411/4885RAD52 4707/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 NPC1 3164/4885RAB9A 391/4885RAD52 4497/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 NPC1 3099/4885RAB9A 425/4885RAD52 4713/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 NPC1 4103/4885RAB9A 993/4885RAD52 4283/4885

“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.