SCHEMBL342834

SCHEMBL342834

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)n2c1CCN(C(=O)c1ccccc1)CC2)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.64
CNR1 P21554 4/20 0.47
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.40
FASN P49327 1/20 0.40
MAPT P10636 1/20 0.40
ADAM17 P78536 1/20 0.39
P2RY12 Q9H244 1/20 0.38
CCR1 P32246 1/20 0.38
NPY2R P49146 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL342835 1.00 CNR2 (0.64) CNR2CNR1GAATP53FASN
SCHEMBL1175022 0.92 CNR2 (0.70) CNR2CNR1GAAFASNADAM17
SCHEMBL1175020 0.92 CNR2 (0.70) CNR2CNR1GAAFASNADAM17
SCHEMBL342128 0.92 CNR2 (0.67) CNR2CNR1GAATP53MAPT
SCHEMBL342129 0.92 CNR2 (0.67) CNR2CNR1GAATP53MAPT
SCHEMBL342289 0.87 CNR2 (0.62) CNR2CNR1GAAMAPT
SCHEMBL342290 0.87 CNR2 (0.62) CNR2CNR1GAAMAPT
SCHEMBL368020 0.87 CNR2 (0.74) CNR2CNR1GAATP53ADAM17
SCHEMBL368019 0.87 CNR2 (0.74) CNR2CNR1GAATP53ADAM17
SCHEMBL1174482 0.86 CNR2 (0.77) CNR2CNR1GAATP53MAPT

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-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885CNR1 1/4885GAA 4374/4885

“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.