SCHEMBL4113770

SCHEMBL4113770

CN1CCCn2c(-c3ccc(F)cc3)nc(C(=O)NC(C(=O)N3CC(F)(F)C3)C(C)(C)C)c2C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.63
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
TP53 P04637 4/20 0.33
THRB P10828 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CCR1 P32246 1/20 0.32
PDK2 Q15119 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
SCHEMBL4113766 1.00 CNR2 (0.63) CNR2DPP4DPP7CSNK1DCSNK1E
SCHEMBL4121799 0.92 CNR2 (0.59) CNR2TP53THRBPOLBLMNA
SCHEMBL4121804 0.92 CNR2 (0.59) CNR2TP53THRBPOLBLMNA
SCHEMBL14888088 0.91 CNR2 (0.63) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL13798915 0.91 CNR2 (0.63) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL4120031 0.90 CNR2 (0.55) CNR2DPP4DPP7CSNK1DCSNK1E
SCHEMBL4120029 0.90 CNR2 (0.55) CNR2DPP4DPP7CSNK1DCSNK1E
SCHEMBL4122979 0.90 CNR2 (0.55) CNR2CSNK1DCSNK1ETP53THRB
SCHEMBL4128310 0.87 CNR2 (0.55) CNR2CCR1
SCHEMBL1175011 0.87 CNR2 (0.82) CNR2TP53THRBPOLBGAA

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 2 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-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 2/4885DPP4 4359/4885DPP7 3990/4885

“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.