SCHEMBL4128344

SCHEMBL4128344

CN1CCCn2c(-c3cc(Cl)c(F)cc3F)nc(C(=O)N[C@H](C(=O)N3CCC3)C(C)(C)C)c2C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.56
PDE4B Q07343 5/20 0.34
PDE4D Q08499 4/20 0.34
CCR1 P32246 2/20 0.34
CNR1 P21554 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
HRH3 Q9Y5N1 3/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
STAT6 P42226 2/20 0.30
STAT5A P42229 1/20 0.30
RORC P51449 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
SCHEMBL4128350 1.00 CNR2 (0.56) CNR2PDE4BPDE4DCCR1CNR1
SCHEMBL4121472 0.94 CNR2 (0.52) CNR2PDE4BPDE4DCCR1CNR1
SCHEMBL4121468 0.94 CNR2 (0.52) CNR2PDE4BPDE4DCCR1CNR1
SCHEMBL4123013 0.93 CNR2 (0.59) CNR2CCR1CNR1HRH3TP53
SCHEMBL4123007 0.93 CNR2 (0.59) CNR2CCR1CNR1HRH3TP53
SCHEMBL4121049 0.93 CNR2 (0.52) CNR2PDE4BPDE4DCCR1CNR1
SCHEMBL4121053 0.93 CNR2 (0.52) CNR2PDE4BPDE4DCCR1CNR1
SCHEMBL4117135 0.92 CNR2 (0.58) CNR2CCR1CNR1HRH3TP53
SCHEMBL4117139 0.92 CNR2 (0.58) CNR2CCR1CNR1HRH3TP53
SCHEMBL1175013 0.91 CNR2 (0.68) CNR2PDE4BPDE4DCNR1PDE4A

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 7 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-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 2/4885PDE4B 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.