SCHEMBL4055322

SCHEMBL4055322

CC(C)CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CPT1A P50416 9/20 0.55
CPT2 P23786 4/20 0.55
CPT1B Q92523 7/20 0.53
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
NR1H3 Q13133 1/20 0.45
CNR2 P34972 1/20 0.45

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) CYP2C9CPT1ACPT2CPT1BLMNA
SCHEMBL1997840 0.90 CYP2C9 (0.56) CYP2C9CPT1ACPT2CPT1BSMN1; SMN2
SCHEMBL18581858 0.84 CPT1A (0.62) CYP2C9CPT1ACPT2CPT1BLMNA
SCHEMBL18581708 0.81 CYP2C9 (0.82) CYP2C9CPT1ACPT2CPT1BMAPT
SCHEMBL2001001 0.80 CPT2 (0.55) CPT1ACPT2CPT1BLMNASMN1; SMN2
SCHEMBL2001876 0.79 CPT1A (0.56) CYP2C9CPT1ACPT2CPT1BCNR2
SCHEMBL2002470 0.77 MAPT (0.45) CPT1ACPT2CPT1BLMNASMN1; SMN2
SCHEMBL2001755 0.74 RORC (0.55) CYP2C9CPT1ANR1H3CNR2
SCHEMBL31751475 0.74 CPT1A (0.53) CYP2C9CPT1ACPT2CPT1BLMNA
SCHEMBL31751232 0.74 CPT1A (0.62) CYP2C9CPT1ACPT2CPT1BNR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.