SCHEMBL3022343

SCHEMBL3022343

CCCCOc1cccc(CCNOC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.58
KCNH2 Q12809 2/20 0.57
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
SLC2A1 P11166 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2911384 0.85 CHRM2 (0.64) CYP2D6KCNH2CHRM2CHRM1CHRM3
SCHEMBL720798 0.84 CYP2D6 (0.58) CYP2D6KCNH2PPARGPPARA
SCHEMBL10650029 0.84 CYP2D6 (0.67) CYP2D6KCNH2KDM4EALDH1A1KMT2A
SCHEMBL14382693 0.82 CYP2D6 (0.57) CYP2D6KCNH2PPARGPPARA
SCHEMBL11563913 0.81 CHRM2 (0.62) CYP2D6KCNH2KDM4EALDH1A1CHRM2
SCHEMBL14051120 0.80 CYP2D6 (0.56) CYP2D6KCNH2SLC2A1PPARGPPARA
SCHEMBL3835443 0.80 BCHE (0.63) CYP2D6KCNH2KDM4EPPARG
SCHEMBL17509790 0.80 PPARA (0.68) CYP2D6KCNH2PPARGPPARA
SCHEMBL9492166 0.80 PPARA (0.68) CYP2D6KCNH2PPARGPPARA
SCHEMBL2911039 0.78 TAAR1 (0.62) CYP2D6KCNH2PPARGPPARA

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 19 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 disclosed
US-9603832-B2 Substituted 2-[2-(phenyl) ethylamino]alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2017-03-28 US disclosed
US-9585869-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS, S.P.A. (IT) 2017-03-07 US disclosed
US-9474739-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-10-25 US disclosed
US-9474737-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-10-25 US disclosed
US-9474738-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-10-25 US disclosed
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 disclosed
US-20150157602-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-11 US disclosed
US-20150157601-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-11 US disclosed
US-20150157599-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-11 US disclosed
US-20150157600-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-11 US disclosed
US-20150157598-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-11 US disclosed
US-9051240-B2 Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2015-06-09 US disclosed
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 disclosed
US-20130274249-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A (IT) 2013-10-17 US disclosed
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 disclosed
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
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 (8 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-20130274249-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF CYP2D6 3287/4885KCNH2 174/4885KDM4E 1601/4885
US-20150157601-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S CYP2D6 2275/4885KCNH2 105/4885KDM4E 1700/4885
US-20150157598-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S CYP2D6 2275/4885KCNH2 105/4885KDM4E 1700/4885
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 169/4885KDM4E 1573/4885
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 174/4885KDM4E 1601/4885
US-20150157600-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S CYP2D6 2275/4885KCNH2 105/4885KDM4E 1700/4885
US-20150157602-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S CYP2D6 2275/4885KCNH2 105/4885KDM4E 1700/4885
US-20150157599-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S CYP2D6 2275/4885KCNH2 105/4885KDM4E 1700/4885

“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.