SCHEMBL2001001

SCHEMBL2001001

CC(C)CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCS2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.55
CPT1A P50416 2/20 0.55
CPT1B Q92523 2/20 0.55
MAPT P10636 10/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 4/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL12567437 0.90 CNR1 (0.54) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2001874 0.90 CNR1 (0.66) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2002149 0.87 CPT1A (0.58) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL1996659 0.86 MAPT (0.49) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2002470 0.85 MAPT (0.45) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL1997806 0.83 MAPT (0.53) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2003474 0.82 CPT1A (0.58) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL2002912 0.81 CPT1A (0.63) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL21972125 0.81 KDM4E (0.61) CPT2CPT1ACPT1BMAPTSMN1; SMN2
SCHEMBL21972409 0.81 CNR1 (0.57) CPT2CPT1ACPT1BMAPTSMN1; 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 9 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
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 CPT2 3725/4885CPT1A 1957/4885CPT1B 4018/4885

“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.