SCHEMBL1174375

SCHEMBL1174375

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
NR1H2 P55055 1/20 0.37
CNR1 P21554 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1174376 1.00 CNR2 (0.48) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL12883462 0.94 CNR2 (0.53) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL14002033 0.86 NR1H2 (0.35) CNR2NR1H2MEN1KMT2APTPN11
SCHEMBL1174415 0.85 CNR2 (0.68) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL1174192 0.85 CNR2 (0.68) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL1174188 0.85 CNR2 (0.68) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL1175152 0.85 KMT2A (0.47) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL1175150 0.85 KMT2A (0.47) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL4117175 0.83 CNR2 (0.41) CNR2NR1H2CNR1MEN1KMT2A
SCHEMBL4117172 0.83 CNR2 (0.41) CNR2NR1H2CNR1MEN1KMT2A

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 2/4885NR1H2 51/4885CNR1 1/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885NR1H2 68/4885CNR1 2/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885NR1H2 51/4885CNR1 1/4885

“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.