SCHEMBL3033490

SCHEMBL3033490

CCCCOc1cc(CC#N)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
TTR P02766 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL12824881 0.89 BIRC5 (0.45) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL8354813 0.84 PDE4A (0.49) CYP1A2MAPTKDM4ELMNA
SCHEMBL10282954 0.84 SMN1; SMN2 (0.47) TSHRSMN1; SMN2GLACYP1A2CYP2C9
SCHEMBL7311427 0.84 MAPT (0.46) SMN1; SMN2CYP1A2ALDH1A1MAPTTDP1
SCHEMBL12044516 0.83 TSHR (0.44) TSHRSMN1; SMN2GLACYP1A2CYP2C9
SCHEMBL6430844 0.83 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL27779395 0.82 GLA (0.42) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL12241026 0.81 SMN1; SMN2 (0.61) TSHRSMN1; SMN2GLAALDH1A1HPGD
SCHEMBL1008180 0.80 HTR7 (0.43) TSHRALDH1A1MAPTTDP1KDM4E
SCHEMBL7320184 0.79 S1PR2 (0.51) ALDH1A1HPGD

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-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-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-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-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-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-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-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 TSHR 4287/4885SMN1; SMN2 678/4885GLA 1267/4885
US-20150157601-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S TSHR 2184/4885SMN1; SMN2 918/4885GLA 970/4885
US-20150157598-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S TSHR 2184/4885SMN1; SMN2 918/4885GLA 970/4885
US-20100210631-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF TSHR 4265/4885SMN1; SMN2 699/4885GLA 1257/4885
US-20130289122-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1B, SARAF TSHR 4287/4885SMN1; SMN2 678/4885GLA 1267/4885
US-20150157600-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S TSHR 2184/4885SMN1; SMN2 918/4885GLA 970/4885
US-20150157602-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S TSHR 2184/4885SMN1; SMN2 918/4885GLA 970/4885
US-20150157599-A1 SUBSTITUTED 2-[2-(PHENYL) ETHYLAMINO] ALKANEAMIDE DERIVATIVES AND THEIR USE AS SODIUM AND/OR CALCIUM CHANNEL MODULATORS CACNA1A, CACNA1E, CACNA1S TSHR 2184/4885SMN1; SMN2 918/4885GLA 970/4885

“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.