SCHEMBL1337553

SCHEMBL1337553

CNC(=O)C(NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CN(C(=O)OC(C)(C)C)CCC2)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
MAP3K14 Q99558 1/20 0.38
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.36
GRIA2 P42262 1/20 0.36
TRPV3 Q8NET8 2/20 0.36
UGCG Q16739 1/20 0.35
C5AR1 P21730 1/20 0.34

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
SCHEMBL1337554 1.00 CNR2 (0.46) CNR2CNR1MAP3K14THRBCYP2C9
SCHEMBL1337805 0.87 CNR2 (0.49) CNR2CNR1CYP2C9GRIA2UGCG
SCHEMBL1337801 0.87 CNR2 (0.49) CNR2CNR1CYP2C9GRIA2UGCG
SCHEMBL1337818 0.80 TP53 (0.42) MAP3K14CYP2C9GRIA2UGCG
SCHEMBL1337792 0.79 CNR2 (0.51) CNR2CNR1GRIA2UGCG
SCHEMBL1337790 0.79 CNR2 (0.51) CNR2CNR1GRIA2UGCG
SCHEMBL12129738 0.74 CNR2 (0.48) CNR2CNR1MAP3K14
SCHEMBL1174975 0.73 CNR2 (0.53) CNR2CNR1
SCHEMBL1174976 0.73 CNR2 (0.53) CNR2CNR1
SCHEMBL1337512 0.72 RORC (0.40) CNR2CNR1C5AR1

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 5 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 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
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 CNR2 2/4885CNR1 1/4885MAP3K14 1003/4885

“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.