SCHEMBL1996597

SCHEMBL1996597

O=C(CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCS2)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
RORC P51449 3/20 0.49
CPT2 P23786 2/20 0.48
CPT1A P50416 2/20 0.48
CPT1B Q92523 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
USP5 P45974 1/20 0.45
MAPT P10636 9/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NR1I2 O75469 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 2/20 0.42
GFER P55789 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1999370 0.89 CNR1 (0.57) CNR1CNR2RORCCPT2CPT1A
SCHEMBL2001054 0.83 CNR1 (0.57) CNR1CNR2RORCCPT2CPT1A
SCHEMBL2000050 0.81 CNR1 (0.53) CNR1CNR2RORCCPT2CPT1A
SCHEMBL1999110 0.80 RORC (0.54) CNR1CNR2RORCCPT2CPT1A
SCHEMBL1998750 0.80 CNR1 (0.69) CNR1CNR2RORCCPT2CPT1A
SCHEMBL1998173 0.78 CNR1 (0.52) CNR1CNR2RORCCPT2CPT1A
SCHEMBL2001201 0.78 RORC (0.46) RORCCPT1AUSP5MAPTNR1H2
SCHEMBL1996586 0.78 CNR1 (0.54) CNR1CNR2RORCCPT2CPT1A
SCHEMBL1995905 0.77 CNR1 (0.49) CNR1CNR2RORCCPT2CPT1A
SCHEMBL4055412 0.77 RORC (0.57) CNR1CNR2RORCCPT2CPT1A

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 3 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 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.