SCHEMBL1337501

SCHEMBL1337501

CC(C)(C)[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1COCC2)C(=O)NCCO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 7/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GRIA2 P42262 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
MAP3K14 Q99558 1/20 0.33

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
SCHEMBL1337506 1.00 UGCG (0.43) UGCGCNR1CNR2GRIA2TRPV1
SCHEMBL1337082 0.93 CNR2 (0.39) UGCGCNR1CNR2GRIA2TRPV1
SCHEMBL1337077 0.93 CNR2 (0.39) UGCGCNR1CNR2GRIA2TRPV1
SCHEMBL1337790 0.89 CNR2 (0.51) UGCGCNR1CNR2GRIA2
SCHEMBL1337792 0.89 CNR2 (0.51) UGCGCNR1CNR2GRIA2
SCHEMBL1337457 0.87 CNR2 (0.41) UGCGCNR1CNR2MAP3K14
SCHEMBL1337454 0.87 CNR2 (0.41) UGCGCNR1CNR2MAP3K14
SCHEMBL1336329 0.86 CNR2 (0.46) UGCGCNR1CNR2
SCHEMBL1336330 0.86 CNR2 (0.46) UGCGCNR1CNR2
SCHEMBL12129634 0.85 UGCG (0.40) UGCGCNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US claimed
EP-2391627-B1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS INC (US) 2013-12-25 EP claimed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
EP-2391627-B1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS INC (US) 2013-12-25 EP disclosed
EP-2391627-A2 BICYCLIC PYRAZOLO-HETEROCYCLES Cara Therapeutics, Inc. (US) 2011-12-07 EP disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2010088050-A2 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2010-08-05 WO disclosed
WO-2010088050-A2 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2010-08-05 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-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 UGCG 1184/4885CNR1 1/4885CNR2 2/4885

“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.