SCHEMBL1998457

SCHEMBL1998457

CC(C)CNC(=O)c1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CCS2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
PPARG P37231 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
MAPT P10636 11/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 3/20 0.50
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GFER P55789 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2003083 0.91 MAPT (0.55) KDM4ERAB9AMAPTSMN1; SMN2TP53
SCHEMBL1997619 0.91 MAPT (0.57) KDM4EMAPTSMN1; SMN2TP53RXFP1
SCHEMBL2000452 0.90 MAPT (0.56) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2002931 0.88 GFER (0.59) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1999173 0.86 KDM4E (0.55) KDM4ERAB9ANPC1MAPK1PPARG
SCHEMBL1996888 0.83 MAPT (0.52) KDM4ERAB9ANPC1MAPK1PPARG
SCHEMBL12567437 0.82 CNR1 (0.54) KDM4ERAB9ANPC1MAPK1PPARG
SCHEMBL1995486 0.82 KDM4E (0.55) KDM4ERAB9ANPC1MAPK1PPARG
SCHEMBL2000108 0.78 CNR2 (0.56) KDM4ERAB9ANPC1MAPK1PPARG
SCHEMBL1996659 0.78 MAPT (0.49) RAB9AMAPTSMN1; SMN2TP53RXFP1

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 9 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-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
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 KDM4E 4230/4885RAB9A 1428/4885NPC1 458/4885

“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.