SCHEMBL1174080

SCHEMBL1174080

CNC(=O)C(NC(=O)c1nc(-c2cc(C(F)(F)F)ccc2F)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.68
CNR1 P21554 7/20 0.43
CTSA P10619 3/20 0.36
TRPV4 Q9HBA0 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
SYK P43405 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
SCHEMBL1174078 1.00 CNR2 (0.68) CNR2CNR1CTSATRPV4JAK2
SCHEMBL1174338 0.95 CNR2 (0.60) CNR2CNR1CTSATRPV4JAK2
SCHEMBL1174336 0.95 CNR2 (0.60) CNR2CNR1CTSATRPV4JAK2
SCHEMBL1174867 0.93 CNR2 (0.68) CNR2CNR1TRPV4SYK
SCHEMBL1174864 0.93 CNR2 (0.68) CNR2CNR1TRPV4SYK
SCHEMBL4126757 0.92 CNR2 (0.70) CNR2CNR1TRPV4
SCHEMBL4126754 0.92 CNR2 (0.70) CNR2CNR1TRPV4
SCHEMBL4115677 0.91 CNR2 (0.56) CNR2CNR1CTSATRPV4JAK2
SCHEMBL4115672 0.91 CNR2 (0.56) CNR2CNR1CTSATRPV4JAK2
SCHEMBL4111088 0.91 CNR2 (0.67) CNR2CNR1CTSA

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 2/4885CNR1 1/4885CTSA 1914/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885CTSA 1579/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885CTSA 1914/4885

“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.