SCHEMBL4126688

SCHEMBL4126688

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.59
CNR1 P21554 9/20 0.41
CTSA P10619 1/20 0.34
MAP3K14 Q99558 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL4126695 1.00 CNR2 (0.59) CNR2CNR1CTSAMAP3K14PDE4A
SCHEMBL1175838 0.95 CNR2 (0.67) CNR2CNR1CTSAMAP3K14
SCHEMBL1175841 0.95 CNR2 (0.67) CNR2CNR1CTSAMAP3K14
SCHEMBL4119545 0.94 CNR2 (0.60) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL4119547 0.94 CNR2 (0.60) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL4116988 0.90 CNR2 (0.64) CNR2CNR1MAP3K14
SCHEMBL4116982 0.90 CNR2 (0.64) CNR2CNR1MAP3K14
SCHEMBL1175013 0.89 CNR2 (0.68) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL1175010 0.89 CNR2 (0.68) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL1175825 0.89 CNR2 (0.62) 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 1/4885CTSA 1914/4885

“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.