SCHEMBL342733

SCHEMBL342733

CNC(=O)C(NC(=O)c1nc(-c2ccc(Cl)cc2F)n2c1COCCC2)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.51
CNR1 P21554 6/20 0.41
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.34
POLB P06746 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
SCHEMBL342732 1.00 CNR2 (0.51) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL10091067 0.95 CNR2 (0.49) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL10091403 0.92 CNR2 (0.53) CNR2CNR1
SCHEMBL10091002 0.89 CNR2 (0.53) CNR2CNR1
SCHEMBL341528 0.88 CNR2 (0.53) CNR2CNR1
SCHEMBL341527 0.88 CNR2 (0.53) CNR2CNR1
SCHEMBL10091038 0.88 CNR2 (0.54) CNR2CNR1TP53LMNATHRB
SCHEMBL10090999 0.88 CNR2 (0.48) CNR2CNR1TP53THRBPOLB
SCHEMBL10090967 0.87 CNR2 (0.54) CNR2CNR1TP53LMNATHRB
SCHEMBL1174629 0.87 CNR2 (0.69) CNR2CNR1PDE4APDE4BPDE4C

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
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US claimed
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
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 1/4885PDE4A 3761/4885

“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.