SCHEMBL1997840

SCHEMBL1997840

CC(C)CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CPT1A P50416 15/20 0.54
CPT2 P23786 6/20 0.54
CPT1B Q92523 13/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 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
SCHEMBL1999963 0.90 CYP2C9 (0.56) CYP2C9CPT1ACPT2CPT1B
SCHEMBL4055322 0.90 CYP2C9 (0.56) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL12567437 0.81 CNR1 (0.54) CPT1ACPT2CPT1BSMN1; SMN2MAPT
SCHEMBL1998991 0.80 CYP2C9 (0.55) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL2001755 0.75 RORC (0.55) CYP2C9CPT1A
SCHEMBL18581887 0.74 CYP2C9 (0.66) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL18581858 0.74 CPT1A (0.62) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL5021967 0.72 CPT1A (0.60) CYP2C9CPT1ACPT2CPT1BMAPT
SCHEMBL28796755 0.72 CPT1A (0.74) CPT1ACPT2CPT1BSMN1; SMN2MAPT
SCHEMBL5021974 0.72 CPT1A (0.56) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2

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 CYP2C9 210/4885CPT1A 1957/4885CPT2 3725/4885

“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.