SCHEMBL2000817

SCHEMBL2000817

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.67
CNR1 P21554 2/20 0.67
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
CPT2 P23786 2/20 0.48
CPT1A P50416 2/20 0.48
CPT1B Q92523 2/20 0.48
RORC P51449 2/20 0.46
NR1I2 O75469 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
STS P08842 1/20 0.45
MAPT P10636 6/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
AR P10275 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
SCHEMBL1997394 0.91 CNR2 (0.54) CNR2CNR1ALDH1A1LMNACPT2
SCHEMBL1998538 0.83 MAPT (0.45) CNR2CNR1ALDH1A1STSMAPT
SCHEMBL1998496 0.81 CNR1 (0.68) CNR2CNR1ALDH1A1CPT2CPT1A
SCHEMBL2000299 0.80 CNR1 (1.00) CNR2CNR1ALDH1A1LMNACPT2
SCHEMBL2003699 0.80 CNR1 (0.72) CNR2CNR1CPT2CPT1ACPT1B
SCHEMBL2002607 0.80 CNR1 (0.69) CNR2CNR1ALDH1A1CPT2CPT1A
SCHEMBL1998750 0.80 CNR1 (0.69) CNR2CNR1ALDH1A1LMNACPT2
SCHEMBL1995571 0.78 CNR1 (0.67) CNR2CNR1ALDH1A1CPT2CPT1A
SCHEMBL2001874 0.77 CNR1 (0.66) CNR2CNR1ALDH1A1CPT2CPT1A
SCHEMBL1997848 0.77 CNR1 (0.66) CNR2CNR1ALDH1A1CPT2CPT1A

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 1/4885ALDH1A1 1422/4885

“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.