SCHEMBL4125559

SCHEMBL4125559

CC(C)NC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)c(F)cc2F)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.61
CNR1 P21554 3/20 0.34
PDE4B Q07343 3/20 0.32
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
MAP3K14 Q99558 3/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL4125563 1.00 CNR2 (0.61) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL1175743 0.93 CNR2 (0.72) CNR2CNR1
SCHEMBL1175744 0.93 CNR2 (0.72) CNR2CNR1
SCHEMBL4123007 0.91 CNR2 (0.59) CNR2CNR1MAP3K14TP53THRB
SCHEMBL4123013 0.91 CNR2 (0.59) CNR2CNR1MAP3K14TP53THRB
SCHEMBL4116388 0.91 CNR2 (0.61) CNR2MAP3K14TP53THRBBLM
SCHEMBL4121463 0.90 CNR2 (0.59) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL4121460 0.90 CNR2 (0.59) CNR2CNR1PDE4BPDE4DPDE4A
SCHEMBL4117135 0.90 CNR2 (0.58) CNR2CNR1MAP3K14TP53THRB
SCHEMBL4117139 0.90 CNR2 (0.58) CNR2CNR1MAP3K14TP53THRB

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.