SCHEMBL4125448

SCHEMBL4125448

CNC(=O)[C@@H](NC(=O)c1nc(-c2cc(Cl)c(F)cc2F)n2c1CNCCC2)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
CNR1 P21554 6/20 0.42
PDE4B Q07343 5/20 0.35
PDE4D Q08499 5/20 0.35
SLC10A1 Q14973 2/20 0.34
PDE4A P27815 4/20 0.34
PDE4C Q08493 4/20 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
SCHEMBL4125450 1.00 CNR2 (0.50) CNR2CNR1PDE4BPDE4DSLC10A1
SCHEMBL4114048 0.93 CNR2 (0.53) CNR2CNR1
SCHEMBL4114056 0.93 CNR2 (0.53) CNR2CNR1
SCHEMBL4119821 0.91 CNR2 (0.41) CNR2CNR1PDE4BPDE4DSLC10A1
SCHEMBL4119817 0.91 CNR2 (0.41) CNR2CNR1PDE4BPDE4DSLC10A1
SCHEMBL1174908 0.89 CNR2 (0.51) CNR2CNR1PDE4BPDE4DSLC10A1
SCHEMBL1174910 0.89 CNR2 (0.51) CNR2CNR1PDE4BPDE4DSLC10A1
SCHEMBL4115426 0.88 CNR2 (0.50) CNR2CNR1
SCHEMBL4115420 0.88 CNR2 (0.50) CNR2CNR1
SCHEMBL4109732 0.87 CNR2 (0.53) 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 6 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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
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
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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.