SCHEMBL1998173

SCHEMBL1998173

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
RORC P51449 6/20 0.51
NR1I2 O75469 1/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
CPT1A P50416 3/20 0.48
CPT2 P23786 2/20 0.48
CPT1B Q92523 2/20 0.48
MAPT P10636 2/20 0.45
TRPV4 Q9HBA0 5/20 0.42
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL1995905 0.90 CNR1 (0.49) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1997848 0.88 CNR1 (0.66) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL2001054 0.88 CNR1 (0.57) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999110 0.87 RORC (0.54) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL2001124 0.86 CPT1A (0.54) CNR1CNR2RORCCPT1ACPT2
SCHEMBL1996586 0.84 CNR1 (0.54) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999022 0.84 CNR1 (0.53) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1999370 0.83 CNR1 (0.57) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL1997510 0.82 POLB (0.50) CNR1CNR2RORCNR1I2NR1H2
SCHEMBL4062546 0.79 RORC (0.53) CNR1CNR2RORCNR1I2NR1H2

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 CNR1 1/4885CNR2 2/4885RORC 21/4885

“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.