SCHEMBL4121005

SCHEMBL4121005

CN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)N[C@H](C(=O)N3CCOCC3)C(C)(C)C)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
STAT6 P42226 1/20 0.36
KIF11 P52732 2/20 0.35
KCNH2 Q12809 2/20 0.35
CNR1 P21554 1/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3R2 O00459 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3R5 Q8WYR1 2/20 0.35
PIK3R3 Q92569 2/20 0.35
MTOR P42345 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNK3 O14649 2/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 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
SCHEMBL4121009 1.00 CNR2 (0.55) CNR2STAT6KIF11KCNH2CNR1
SCHEMBL13798846 0.94 CNR2 (0.59) CNR2KIF11KCNH2CNR1TP53
SCHEMBL14888115 0.94 CNR2 (0.59) CNR2KIF11KCNH2CNR1TP53
SCHEMBL4111006 0.94 CNR2 (0.55) CNR2STAT6CNR1PIK3CAPIK3CD
SCHEMBL4111009 0.94 CNR2 (0.55) CNR2STAT6CNR1PIK3CAPIK3CD
SCHEMBL4115431 0.93 CNR2 (0.54) CNR2STAT6CNR1TP53THRB
SCHEMBL4115433 0.93 CNR2 (0.54) CNR2STAT6CNR1TP53THRB
SCHEMBL4121485 0.92 CNR2 (0.53) CNR2STAT6WDR5
SCHEMBL4121488 0.92 CNR2 (0.53) CNR2STAT6WDR5
SCHEMBL4117052 0.91 CNR2 (0.55) CNR2STAT6CNR1

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 2/4885STAT6 588/4885KIF11 3999/4885

“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.