SCHEMBL1174579

SCHEMBL1174579

CNC(=O)C(NC(=O)c1nc(CC(C)C)n2c1CN(C)CC2)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.59
ADAM17 P78536 5/20 0.36
MMP1 P03956 6/20 0.35
MMP3 P08254 4/20 0.35
MMP2 P08253 4/20 0.35
TNF P01375 1/20 0.35
CNR1 P21554 4/20 0.35
MMP9 P14780 4/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34

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
SCHEMBL1174578 1.00 CNR2 (0.59) CNR2ADAM17MMP1MMP3MMP2
SCHEMBL1176360 0.94 CNR2 (0.67) CNR2ADAM17MMP1MMP3CNR1
SCHEMBL1176358 0.94 CNR2 (0.67) CNR2ADAM17MMP1MMP3CNR1
SCHEMBL1175723 0.90 CNR2 (0.61) CNR2ADAM17CNR1
SCHEMBL1175721 0.90 CNR2 (0.61) CNR2ADAM17CNR1
SCHEMBL1174821 0.88 CNR2 (0.59) CNR2MMP1MMP3MMP2CNR1
SCHEMBL1174825 0.88 CNR2 (0.59) CNR2MMP1MMP3MMP2CNR1
SCHEMBL1174493 0.84 CNR2 (0.58) CNR2ADAM17MMP3MMP2CNR1
SCHEMBL1174490 0.84 CNR2 (0.58) CNR2ADAM17MMP3MMP2CNR1
SCHEMBL1175643 0.84 CNR2 (0.69) CNR2ADAM17CNR1

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 2/4885ADAM17 3598/4885MMP1 2712/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885ADAM17 2783/4885MMP1 2254/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885ADAM17 3598/4885MMP1 2712/4885

“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.