SCHEMBL3015067

SCHEMBL3015067

CCCCOc1cccc(CCC#N)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2D6 P10635 10/20 0.50
KCNH2 Q12809 2/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL720798 0.85 CYP2D6 (0.58) CYP2D6KCNH2PPARGPPARADHFR
SCHEMBL3199098 0.85 CYP2D6 (0.53) CYP2D6KCNH2PPARGPPARA
SCHEMBL9692722 0.84 DHFR (0.48) CYP2D6KCNH2DHFRTSHR
SCHEMBL14382693 0.84 CYP2D6 (0.57) CYP2D6KCNH2PPARGPPARADHFR
SCHEMBL9428212 0.81 THRA (0.43) MEN1KMT2ATSHR
SCHEMBL17509790 0.81 PPARA (0.68) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL9492166 0.81 PPARA (0.68) CYP2D6KCNH2PPARGPPARATSHR
SCHEMBL21974573 0.81 MEN1 (0.63) MEN1KMT2APPARGPPARA
SCHEMBL16502341 0.80 ALDH1A1 (0.54) MEN1KMT2ATSHR
SCHEMBL9621361 0.80 CYP2D6 (0.53) CYP2D6KCNH2PPARGPPARADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210631-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-08-19 US disclosed
CN-101687773-A Substituted 2- [ 2- (phenyl) ethylamino ] alkanamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARM SPA 2010-03-31 CN disclosed
EP-2155663-A1 SUBSTITUTED 2- Ý2- (PHENYL) ETHYLAMINO¨ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2010-02-24 EP disclosed
WO-2008151702-A1 SUBSTITUTED 2- [2- (PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-12-18 WO 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-20100210631-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF MEN1 3711/4885KMT2A 698/4885CYP2D6 3284/4885

“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.