SCHEMBL1337801

SCHEMBL1337801

CNC(=O)[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.49
CNR1 P21554 4/20 0.47
UGCG Q16739 2/20 0.38
CYP2C9 P11712 2/20 0.35
GRIA2 P42262 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1337805 1.00 CNR2 (0.49) CNR2CNR1UGCGCYP2C9GRIA2
SCHEMBL1337553 0.87 CNR2 (0.46) CNR2CNR1UGCGCYP2C9GRIA2
SCHEMBL1337554 0.87 CNR2 (0.46) CNR2CNR1UGCGCYP2C9GRIA2
SCHEMBL12129738 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL1337790 0.82 CNR2 (0.51) CNR2CNR1UGCGGRIA2
SCHEMBL1337792 0.82 CNR2 (0.51) CNR2CNR1UGCGGRIA2
SCHEMBL1175632 0.75 CNR2 (0.77) CNR2CNR1
SCHEMBL1175630 0.75 CNR2 (0.77) CNR2CNR1
SCHEMBL1175743 0.73 CNR2 (0.72) CNR2CNR1
SCHEMBL1175744 0.73 CNR2 (0.72) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2391627-B1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS INC (US) 2013-12-25 EP disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US 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 CNR2 2/4885CNR1 1/4885UGCG 1184/4885

“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.