SCHEMBL1999751

SCHEMBL1999751

CS(=O)(=O)N1CCSc2ccc(C(=O)NC3CCCC3)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.71
CNR1 P21554 1/20 0.71
ALDH1A1 P00352 7/20 0.54
NPSR1 Q6W5P4 6/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
CASP1 P29466 1/20 0.53
ALOX15 P16050 1/20 0.52
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.48
CPT2 P23786 1/20 0.48
CPT1A P50416 1/20 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
SCHEMBL2004701 0.85 CNR1 (0.82) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL2000299 0.83 CNR1 (1.00) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL2003576 0.83 MAPT (0.51) CNR2CNR1ALDH1A1NPSR1HSD17B10
SCHEMBL1995856 0.82 CNR2 (0.59) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL1999142 0.81 CPT1A (0.50) CNR2CNR1ALDH1A1NPSR1HSD17B10
SCHEMBL1998715 0.79 CNR2 (0.56) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL1999061 0.79 ALDH1A1 (0.61) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL2003675 0.78 ALDH1A1 (0.56) CNR2CNR1ALDH1A1NPSR1USP2
SCHEMBL1996659 0.78 MAPT (0.49) CNR2CNR1HSD17B10TP53KMT2A
SCHEMBL2004423 0.78 POLB (0.66) ALDH1A1HPGDHSD17B10TP53ALOX15

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 CNR2 2/4885CNR1 1/4885ALDH1A1 1422/4885

“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.