SCHEMBL4116328

SCHEMBL4116328

Cc1nnc(C(NC(=O)c2nc(-c3cc(Cl)c(F)cc3F)n3c2CN(C)CCC3)C(C)(C)C)o1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
PDE4B Q07343 3/20 0.32
PDE4D Q08499 3/20 0.32
SLC10A1 Q14973 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4116320 1.00 CNR2 (0.45) CNR2PDE4BPDE4DSLC10A1PDE4A
SCHEMBL4115372 0.94 CNR2 (0.44) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4115370 0.94 CNR2 (0.44) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4117356 0.93 CNR2 (0.43) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4117350 0.93 CNR2 (0.43) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4113668 0.88 CNR2 (0.41) CNR2
SCHEMBL4113665 0.88 CNR2 (0.41) CNR2
SCHEMBL4117186 0.82 CNR2 (0.48) CNR2PDE4BPDE4DSLC10A1PDE4A
SCHEMBL1175131 0.82 CNR2 (0.54) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4117191 0.82 CNR2 (0.48) CNR2PDE4BPDE4DSLC10A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
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 2/4885PDE4B 3700/4885PDE4D 3987/4885

“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.