SCHEMBL2000108

SCHEMBL2000108

O=C(NC1CCCC1)c1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CCS2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
CNR1 P21554 1/20 0.56
NPSR1 Q6W5P4 7/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ALDH1A1 P00352 6/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 4/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 5/20 0.47

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
SCHEMBL2001152 0.90 CNR1 (0.56) CNR2CNR1NPSR1KDM4ENPC1
SCHEMBL2003675 0.89 ALDH1A1 (0.56) CNR2CNR1NPSR1KDM4ENPC1
SCHEMBL2003775 0.89 CNR1 (0.69) CNR2CNR1NPSR1KDM4ENPC1
SCHEMBL2000160 0.87 NPC1 (0.54) CNR2CNR1NPSR1NPC1RAB9A
SCHEMBL1995856 0.84 CNR2 (0.59) CNR2CNR1NPSR1KDM4ENPC1
SCHEMBL1999173 0.83 KDM4E (0.55) NPSR1KDM4ENPC1RAB9AMAPK1
SCHEMBL1999061 0.82 ALDH1A1 (0.61) CNR2CNR1NPSR1KDM4ENPC1
SCHEMBL1995486 0.81 KDM4E (0.55) NPSR1KDM4ENPC1RAB9AMAPK1
SCHEMBL2003022 0.78 KDM4E (0.48) CNR2NPSR1KDM4ENPC1RAB9A
SCHEMBL1998457 0.78 KDM4E (0.53) NPSR1KDM4ENPC1RAB9AMAPK1

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 7 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
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 1/4885NPSR1 57/4885

“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.