SCHEMBL1999173

SCHEMBL1999173

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPK1 P28482 1/20 0.55
PPARG P37231 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 3/20 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
IDO1 P14902 4/20 0.44
KCNH2 Q12809 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 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
SCHEMBL1998544 0.90 MAPT (0.57) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2001847 0.90 MAPT (0.50) KDM4ENPC1RAB9ANPSR1MAPT
SCHEMBL1998056 0.89 MAPT (0.51) KDM4ENPC1RAB9ANPSR1MAPT
SCHEMBL1994848 0.88 RAB9A (0.58) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1998457 0.86 KDM4E (0.53) KDM4ENPC1RAB9AMAPK1PPARG
SCHEMBL1995486 0.84 KDM4E (0.55) KDM4ENPC1RAB9AMAPK1PPARG
SCHEMBL1997641 0.84 MAPT (0.52) KDM4ENPC1RAB9AMAPK1PPARG
SCHEMBL2000108 0.83 CNR2 (0.56) KDM4ENPC1RAB9AMAPK1PPARG
SCHEMBL1996888 0.81 MAPT (0.52) KDM4ENPC1RAB9AMAPK1PPARG
SCHEMBL2003022 0.78 KDM4E (0.48) KDM4ENPC1RAB9AMAPK1PPARG

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 6 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
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 4230/4885NPC1 458/4885RAB9A 1428/4885

“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.