SCHEMBL4113697

SCHEMBL4113697

Cc1nnc([C@@H](NC(=O)c2nc(-c3cc(Cl)ccc3F)n3c2CN(CC(C)C)CC3)C(C)(C)C)o1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
CTSA P10619 5/20 0.34
KCNH2 Q12809 1/20 0.33
MME P08473 4/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
DRD1 P21728 1/20 0.32
WNT1 P04628 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MDM2 Q00987 1/20 0.31
GPR6 P46095 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL4113703 1.00 CNR2 (0.38) CNR2CTSAKCNH2MMEGSK3B
SCHEMBL4120604 0.91 CNR2 (0.40) CNR2GSK3BDYRK1AWNT1HSP90AA1
SCHEMBL4120609 0.91 CNR2 (0.40) CNR2GSK3BDYRK1AWNT1HSP90AA1
SCHEMBL1174239 0.85 CNR2 (0.45) CNR2CTSAGSK3BDYRK1AWNT1
SCHEMBL1174243 0.85 CNR2 (0.45) CNR2CTSAGSK3BDYRK1AWNT1
SCHEMBL4128374 0.80 CNR2 (0.36) CNR2
SCHEMBL4128376 0.80 CNR2 (0.36) CNR2
SCHEMBL4113668 0.80 CNR2 (0.41) CNR2
SCHEMBL4113665 0.80 CNR2 (0.41) CNR2
SCHEMBL4111019 0.78 CNR2 (0.38) CNR2GSK3BDYRK1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 (1 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 2/4885CTSA 1914/4885KCNH2 919/4885

“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.