SCHEMBL4117103

SCHEMBL4117103

CN1CCCn2c(-c3ccc(Cl)cc3F)nc(C(=O)N[C@H](C(=O)N3CCOCC3)C(C)(C)C)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
CCR1 P32246 2/20 0.36
CNR1 P21554 2/20 0.36
AVPR1B P47901 1/20 0.35
STAT6 P42226 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 1/20 0.34
RORC P51449 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL4117107 1.00 CNR2 (0.53) CNR2CCR1CNR1AVPR1BSTAT6
SCHEMBL4115433 0.94 CNR2 (0.54) CNR2CCR1CNR1AVPR1BSTAT6
SCHEMBL4115431 0.94 CNR2 (0.54) CNR2CCR1CNR1AVPR1BSTAT6
SCHEMBL4111006 0.92 CNR2 (0.55) CNR2CNR1STAT6
SCHEMBL4111009 0.92 CNR2 (0.55) CNR2CNR1STAT6
SCHEMBL4121468 0.90 CNR2 (0.52) CNR2CCR1CNR1AVPR1BSTAT6
SCHEMBL4121472 0.90 CNR2 (0.52) CNR2CCR1CNR1AVPR1BSTAT6
SCHEMBL4117055 0.90 CNR2 (0.55) CNR2CNR1STAT6ALDH1A1
SCHEMBL4117052 0.90 CNR2 (0.55) CNR2CNR1STAT6ALDH1A1
SCHEMBL4109706 0.89 CNR2 (0.51) CNR2CCR1STAT6HRH3SMN1; SMN2

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 2/4885CCR1 39/4885CNR1 1/4885

“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.