SCHEMBL69227

SCHEMBL69227

COc1cc(CCN(CCO)CC(=O)N(C)C)ccc1OCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
APP P05067 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CALM1 P0DP23 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41

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 SCHEMBL69156 0.91 APP (0.51) CYP2D6APPKDM4ECYP1A2CYP3A4
SCHEMBL70046 0.90 KMT2A (0.56) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL70759 0.89 KMT2A (0.55) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL69033 0.87 KDM4E (0.53) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL70388 0.87 HTR2A (0.45) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL68031 0.84 LMNA (0.45) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL68798 0.84 CYP2D6 (0.43) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL69220 0.84 TRPM8 (0.46) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL70716 0.84 APP (0.46) CYP2D6APPKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL68808 0.84 CYP2D6 (0.44) CYP2D6APPKDM4ECYP1A2CYP3A4

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 6 patents. 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 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-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US disclosed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 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

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 CYP2D6 2604/4885APP 571/4885KDM4E 2032/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 CYP2D6 3730/4885APP 912/4885KDM4E 2642/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 CYP2D6 3730/4885APP 912/4885KDM4E 2642/4885

“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.