SCHEMBL4119545

SCHEMBL4119545

CNC(=O)[C@@H](NC(=O)c1nc(-c2cc(Cl)c(F)cc2F)n2c1CN(C)CC2)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.60
CNR1 P21554 7/20 0.44
PDE4B Q07343 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
SLC10A1 Q14973 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 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
SCHEMBL4119547 1.00 CNR2 (0.60) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL1175010 0.95 CNR2 (0.68) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL1175013 0.95 CNR2 (0.68) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL4126688 0.94 CNR2 (0.59) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL4126695 0.94 CNR2 (0.59) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL4116988 0.93 CNR2 (0.64) CNR2CNR1
SCHEMBL4116982 0.93 CNR2 (0.64) CNR2CNR1
SCHEMBL1175825 0.89 CNR2 (0.62) CNR2CNR1SLC10A1
SCHEMBL1175830 0.89 CNR2 (0.62) CNR2CNR1SLC10A1
SCHEMBL1175841 0.89 CNR2 (0.67) CNR2CNR1SLC10A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885PDE4B 3700/4885

“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.