SCHEMBL67451

SCHEMBL67451

CN(C)CCNC(=O)CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NR4A2 P43354 1/20 0.40
PPARA Q07869 2/20 0.40
DNMT1 P26358 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAOA P21397 2/20 0.38

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 SCHEMBL69592 0.99 MAOB (0.41) MAOBMAPTTDP1POLBTP53
Hydrochloric Acid SCHEMBL67679 0.90 MRGPRX4 (0.41) MAOBMAPTTDP1POLBTP53
Hydrochloric Acid SCHEMBL69414 0.88 MAOB (0.44) MAOBMAPTTDP1POLBTP53
SCHEMBL69288 0.87 PPARA (0.42) MAOBMAPTTDP1POLBTP53
Hydrochloric Acid SCHEMBL3776917 0.86 PPARA (0.41) MAOBMAPTTDP1POLBTP53
SCHEMBL69070 0.86 MRGPRX4 (0.46) MAOBMAPTTDP1POLBTP53
SCHEMBL67655 0.84 MAPT (0.45) MAOBMAPTTP53MRGPRX4NR4A2
SCHEMBL69411 0.82 PPARA (0.40) MAOBMAPTTP53MRGPRX4NR4A2
Hydrochloric Acid SCHEMBL70566 0.81 PPARA (0.40) MAOBMAPTTP53MRGPRX4NR4A2
Hydrochloric Acid SCHEMBL67921 0.81 PPARA (0.41) MAOBMAPTTP53MRGPRX4NR4A2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963280-B1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARM SPA (IT) 2015-10-28 EP claimed
US-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US claimed
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN claimed
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 US claimed
US-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US claimed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 US claimed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US claimed
CN-101309909-A 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA (IT) 2008-11-19 CN claimed
EP-1963280-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2008-09-03 EP claimed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 WO claimed
EP-1963280-B1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARM SPA (IT) 2015-10-28 EP disclosed
US-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US disclosed
US-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US disclosed
US-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US disclosed
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
CN-101309909-A 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA (IT) 2008-11-19 CN disclosed
EP-1963280-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2008-09-03 EP disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 WO disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 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 (3 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-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1E, CACNA1I MAOB 1068/4885MAPT 964/4885TDP1 2162/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 MAOB 2154/4885MAPT 1275/4885TDP1 2748/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 MAOB 2154/4885MAPT 1275/4885TDP1 2748/4885

“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.