SCHEMBL1174181

SCHEMBL1174181

CC(C)(C)C(CO)NC(=O)c1nc(-c2ccccc2)n2c1CNCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.47
▸ GAA P10253 1/20 0.44
▸ TP53 P04637 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ TACR3 P29371 3/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL1175631 1.00 CNR2 (0.47) CNR2GAATP53THRBLMNA
SCHEMBL1174177 1.00 CNR2 (0.47) CNR2GAATP53THRBLMNA
SCHEMBL1174703 0.90 TP53 (0.43) CNR2GAATP53THRBLMNA
SCHEMBL1174701 0.90 TP53 (0.43) CNR2GAATP53THRBLMNA
SCHEMBL1174372 0.86 CNR2 (0.49) CNR2GAATP53THRBLMNA
SCHEMBL1174399 0.86 CNR2 (0.49) CNR2GAATP53THRBLMNA
SCHEMBL1174374 0.86 CNR2 (0.49) CNR2GAATP53THRBLMNA
SCHEMBL12883048 0.85 GAA (0.43) CNR2GAATP53THRBLMNA
SCHEMBL12883040 0.85 GAA (0.43) CNR2GAATP53THRBLMNA
SCHEMBL1175641 0.83 CNR2 (0.68) CNR2GAAMMP1

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 8 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
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 2/4885GAA 4090/4885TP53 4585/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885GAA 3789/4885TP53 4335/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885GAA 4090/4885TP53 4585/4885

“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.

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