SCHEMBL68208

SCHEMBL68208

CNC(=O)CN(CCc1cccc(OCc2ccccc2)c1)Cc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
PPARA Q07869 2/20 0.44
PTGES O14684 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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 SCHEMBL69455 0.99 BCHE (0.48) BCHELTB4RLTB4R2CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL70222 0.93 PPARA (0.42) BCHELTB4RLTB4R2ALDH1A1POLB
Hydrochloric Acid SCHEMBL68539 0.91 MAOB (0.43) BCHEPOLBPPARA
Hydrochloric Acid SCHEMBL69047 0.91 PPARA (0.47) BCHECYP2D6POLBPPARA
SCHEMBL70850 0.90 MAOB (0.46) BCHELTB4RLTB4R2PPARA
Hydrochloric Acid SCHEMBL69414 0.90 MAOB (0.44) BCHEPOLBPPARA
Hydrochloric Acid SCHEMBL67911 0.90 SMN1; SMN2 (0.46) ALDH1A1POLB
SCHEMBL68509 0.89 MAPT (0.40) POLBPPARA
Hydrochloric Acid SCHEMBL69224 0.89 PPARA (0.46) BCHEALDH1A1POLBPPARA
Hydrochloric Acid SCHEMBL68018 0.89 THRB (0.41) BCHEALDH1A1POLBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US 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
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 BCHE 3957/4885LTB4R 1092/4885LTB4R2 684/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885LTB4R 1544/4885LTB4R2 993/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885LTB4R 1544/4885LTB4R2 993/4885

“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.