SCHEMBL2005128

SCHEMBL2005128

COc1ccc(C(=O)N2CCSc3ccc(C(=O)NC(C)(C)C)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
GFER P55789 1/20 0.54
MAPT P10636 7/20 0.52
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RYR2 Q92736 3/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL2001916 0.88 RAB9A (0.47) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL1996990 0.88 MAPT (0.50) RAB9ANPC1GFERMAPTKMT2A
SCHEMBL1996799 0.87 MAPT (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1995486 0.87 KDM4E (0.55) RAB9ANPC1MAPTMEN1POLB
SCHEMBL1994848 0.86 RAB9A (0.58) RAB9ANPC1GFERMAPTMEN1
SCHEMBL1995768 0.83 NOTUM (0.53) RAB9ANPC1MAPTMEN1POLB
SCHEMBL2002931 0.82 GFER (0.59) RAB9ANPC1GFERMAPTMEN1
SCHEMBL2000160 0.82 NPC1 (0.54) RAB9ANPC1GFERMAPTMEN1
SCHEMBL1996879 0.82 GFER (0.58) RAB9ANPC1GFERMAPTMEN1
SCHEMBL1996582 0.80 CNR2 (0.59) RAB9ANPC1GFERMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO 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 (1 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 RAB9A 1428/4885NPC1 458/4885GFER 2501/4885

“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.