SCHEMBL1174993

SCHEMBL1174993

Cc1ccc(-c2nc(C(=O)NC(c3nc(C)no3)C(C)(C)C)c3n2CCCNC3)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
RPS6KA2 Q15349 4/20 0.32
RIPK1 Q13546 1/20 0.32
RPS6KA3 P51812 4/20 0.31
MAP3K14 Q99558 1/20 0.31
GABRA5 P31644 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
PDE2A O00408 1/20 0.30
TP53 P04637 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
SCHEMBL1174989 1.00 CNR2 (0.36) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4122259 0.91 CNR2 (0.35) CNR2RPS6KA2RIPK1RPS6KA3
SCHEMBL4122263 0.91 CNR2 (0.35) CNR2RPS6KA2RIPK1RPS6KA3
SCHEMBL4121091 0.89 CNR2 (0.37) CNR2RPS6KA2RIPK1RPS6KA3GABRA5
SCHEMBL4121083 0.89 CNR2 (0.37) CNR2RPS6KA2RIPK1RPS6KA3GABRA5
SCHEMBL1175446 0.87 CNR2 (0.47) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL1175444 0.87 CNR2 (0.47) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL4117922 0.87 CNR2 (0.36) CNR2RPS6KA2RIPK1RPS6KA3ADORA3
SCHEMBL4117926 0.87 CNR2 (0.36) CNR2RPS6KA2RIPK1RPS6KA3ADORA3
SCHEMBL15234416 0.86 CNR2 (0.39) CNR2PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US claimed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP claimed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US claimed
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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 (3 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
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885PDE4B 3214/4885PDE4D 3608/4885
US-20080318935-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.