SCHEMBL2000050

SCHEMBL2000050

O=C(Nc1ccccc1O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCS2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.53
▸ CNR2 P34972 2/20 0.53
▸ CPT1A P50416 4/20 0.51
▸ CPT2 P23786 3/20 0.51
▸ CPT1B Q92523 3/20 0.51
▸ MAPT P10636 5/20 0.50
▸ RORC P51449 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.42
▸ RXFP1 Q9HBX9 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 0.86 CNR1 (0.57) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL2001054 0.82 CNR1 (0.57) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1996597 0.81 CNR1 (0.52) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1999110 0.81 RORC (0.54) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1998173 0.79 CNR1 (0.52) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1996586 0.78 CNR1 (0.54) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1999022 0.78 CNR1 (0.53) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1998750 0.76 CNR1 (0.69) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1995905 0.76 CNR1 (0.49) CNR1CNR2CPT1ACPT2CPT1B
SCHEMBL1997510 0.76 POLB (0.50) CNR1CNR2CPT1ACPT2CPT1B

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 2/4885CPT1A 1957/4885

“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.

Send feedback