SCHEMBL3033006

SCHEMBL3033006

CCCCOc1ccc(F)c(CCNCC(=O)N(C)C)c1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.54
KCNH2 Q12809 7/20 0.53
CACNA1B Q00975 3/20 0.43
SLC2A1 P11166 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
Hydrochloric Acid SCHEMBL3033999 0.99 KCNH2 (0.54) CYP2D6KCNH2CACNA1BSLC2A1THRA
SCHEMBL3031422 0.82 CYP2D6 (0.59) CYP2D6KCNH2CACNA1B
Hydrochloric Acid SCHEMBL3034444 0.81 KCNH2 (0.66) CYP2D6KCNH2CACNA1B
SCHEMBL3032251 0.80 CYP2D6 (0.52) CYP2D6KCNH2CACNA1BTHRATHRB
SCHEMBL3033206 0.75 CYP2D6 (0.65) CYP2D6KCNH2
Hydrochloric Acid SCHEMBL3021876 0.74 KCNH2 (0.66) CYP2D6KCNH2
SCHEMBL3031329 0.74 CYP2D6 (0.67) CYP2D6KCNH2CACNA1B
Hydrochloric Acid SCHEMBL3023279 0.73 KCNH2 (0.67) CYP2D6KCNH2CACNA1B
SCHEMBL3032728 0.73 CYP2D6 (0.59) CYP2D6KCNH2CACNA1B
SCHEMBL3032007 0.73 CYP2D6 (0.62) CYP2D6KCNH2CACNA1BTHRATHRB

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
EP-2155663-B1 SUBSTITUTED 2-[2-(PHENYL)ETHYLAMINO]ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARM SPA (IT) 2017-11-29 EP claimed
US-9248116-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-02-02 US claimed
CN-101687773-B Substituted 2- [2- (phenyl) ethylamino ] alkanamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARM SPA 2014-07-30 CN claimed
US-20130289122-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A (IT) 2013-10-31 US claimed
US-8519000-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-08-27 US claimed
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 claimed
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 claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP2D6 3284/4885KCNH2 169/4885CACNA1B 2/4885
US-20130289122-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF CYP2D6 3287/4885KCNH2 174/4885CACNA1B 2/4885

“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.