SCHEMBL2004701

SCHEMBL2004701

O=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCS2

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.82
CNR2 P34972 1/20 0.82
CPT2 P23786 2/20 0.56
CPT1A P50416 2/20 0.56
CPT1B Q92523 2/20 0.56
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2000299 0.90 CNR1 (1.00) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL1999751 0.85 CNR2 (0.71) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2002912 0.85 CPT1A (0.63) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2002149 0.83 CPT1A (0.58) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2003474 0.81 CPT1A (0.58) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2001152 0.80 CNR1 (0.56) CNR1CNR2ALDH1A1KMT2ANPSR1
SCHEMBL1994888 0.80 HPGD (0.63) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL21972125 0.80 KDM4E (0.61) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL2001876 0.80 CPT1A (0.56) CNR1CNR2CPT2CPT1ACPT1B
SCHEMBL1997394 0.79 CNR2 (0.54) CNR1CNR2CPT2CPT1ACPT1B

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 8 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

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 2/4885CPT2 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.