SCHEMBL1997510

SCHEMBL1997510

O=C(c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCS2)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
RORC P51449 3/20 0.48
NR1I2 O75469 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
EPHX2 P34913 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MLYCD O95822 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL1996586 0.91 CNR1 (0.54) POLBCNR1CNR2RORCNR1I2
SCHEMBL1999022 0.90 CNR1 (0.53) POLBCNR1CNR2RORCNR1I2
SCHEMBL1997717 0.89 CNR1 (0.61) POLBCNR1CNR2RORCNR1I2
SCHEMBL2001920 0.87 ALDH1A1 (0.53) CNR1CNR2RORCMAPK1L3MBTL1
SCHEMBL2001054 0.85 CNR1 (0.57) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999110 0.84 RORC (0.54) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1998173 0.82 CNR1 (0.52) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999370 0.82 CNR1 (0.57) POLBCNR1CNR2RORCNR1I2
SCHEMBL1995669 0.80 CNR1 (0.67) POLBCNR1CNR2RORCNR1I2
SCHEMBL1998852 0.79 CNR1 (0.66) POLBCNR1CNR2RORCNR1I2

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 POLB 3085/4885CNR1 1/4885CNR2 2/4885

“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.