SCHEMBL2000452

SCHEMBL2000452

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
GAA P10253 5/20 0.56
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RXFP1 Q9HBX9 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48

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) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL1997619 0.91 MAPT (0.57) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL1998457 0.90 KDM4E (0.53) MAPTGAAKDM4EHPGDTP53
SCHEMBL2002931 0.88 GFER (0.59) MAPTTP53SMN1; SMN2RXFP1KMT2A
SCHEMBL1998056 0.86 MAPT (0.51) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL1998684 0.84 MAPT (0.57) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL1996810 0.83 MEN1 (0.55) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL2001874 0.82 CNR1 (0.66) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL1996799 0.82 MAPT (0.51) MAPTGAAKDM4EALDH1A1GLA
SCHEMBL2003775 0.78 CNR1 (0.69) MAPTGAAKDM4EALDH1A1GLA

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 1743/4885GAA 2326/4885KDM4E 4230/4885

“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.