SCHEMBL1997394

SCHEMBL1997394

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCS2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.54
CNR1 P21554 2/20 0.54
CPT1A P50416 3/20 0.54
CPT2 P23786 2/20 0.54
CPT1B Q92523 2/20 0.54
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
AR P10275 1/20 0.49
FAAH O00519 3/20 0.48
RORC P51449 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
STS P08842 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
SCHEMBL2000817 0.91 CNR2 (0.67) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2001987 0.81 FAAH (0.54) CNR2CNR1ALDH1A1FAAHPKM
SCHEMBL2002912 0.80 CPT1A (0.63) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2004701 0.79 CNR1 (0.82) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2003474 0.79 CPT1A (0.58) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2002149 0.79 CPT1A (0.58) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL21972125 0.77 KDM4E (0.61) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2001001 0.77 CPT2 (0.55) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2001124 0.76 CPT1A (0.54) CNR2CNR1CPT1ACPT2CPT1B
SCHEMBL2000046 0.75 CNR2 (0.47) CNR2CNR1ALDH1A1LMNAFAAH

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 CNR2 2/4885CNR1 1/4885CPT1A 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.