SCHEMBL1174255

SCHEMBL1174255

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
MMP9 P14780 3/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 2/20 0.36
CNR1 P21554 2/20 0.36
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
MMP1 P03956 4/20 0.34
MMP3 P08254 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1174253 1.00 CNR2 (0.44) CNR2MMP9MMP2MMP8CNR1
SCHEMBL1174676 0.94 CNR2 (0.52) CNR2MMP9MMP2MMP8CNR1
SCHEMBL1174679 0.94 CNR2 (0.52) CNR2MMP9MMP2MMP8CNR1
SCHEMBL12883456 0.87 CNR2 (0.44) CNR2MMP9MMP2MMP8CNR1
SCHEMBL1175590 0.84 CNR2 (0.65) CNR2MMP9CNR1MMP1RAB9A
SCHEMBL1175591 0.84 CNR2 (0.65) CNR2MMP9CNR1MMP1RAB9A
SCHEMBL4120221 0.83 CNR2 (0.43) CNR2MMP9CNR1MMP1RAB9A
SCHEMBL4120213 0.83 CNR2 (0.43) CNR2MMP9CNR1MMP1RAB9A
SCHEMBL1175152 0.83 KMT2A (0.47) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL1175150 0.83 KMT2A (0.47) CNR2CNR1MEN1ALDH1A1MAPT

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 7 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 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 2/4885MMP9 3827/4885MMP2 4053/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885MMP9 2667/4885MMP2 4022/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885MMP9 3827/4885MMP2 4053/4885

“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.