SCHEMBL1998544

SCHEMBL1998544

CC(C)NC(=O)c1ccc2c(c1)N(C(=O)c1ccccc1)CCS2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 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
KMT2A Q03164 2/20 0.46
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RYR2 Q92736 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 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
SCHEMBL2001847 0.91 MAPT (0.50) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1998056 0.90 MAPT (0.51) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1999173 0.90 KDM4E (0.55) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1994848 0.89 RAB9A (0.58) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2003083 0.86 MAPT (0.55) MAPTRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL1997641 0.85 MAPT (0.52) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2001916 0.84 RAB9A (0.47) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2001152 0.82 CNR1 (0.56) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL2003685 0.81 MAPT (0.53) MAPTRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL2002149 0.79 CPT1A (0.58) MAPTRAB9ANPC1SMN1; SMN2RXFP1

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-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

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 MAPT 1743/4885RAB9A 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.