SCHEMBL70046

SCHEMBL70046

COc1cc(CCN(CC(=O)N(C)C)Cc2ccccc2)ccc1OCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
APP P05067 1/20 0.50
HCRTR2 O43614 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
BCHE P06276 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44

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 SCHEMBL70759 0.99 KMT2A (0.55) KMT2AMEN1L3MBTL1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL71361 0.91 MEN1 (0.52) KMT2AMEN1L3MBTL1KDM4ECYP1A2
SCHEMBL67981 0.90 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1KDM4ECYP1A2
SCHEMBL69227 0.90 CYP2D6 (0.46) KMT2AMEN1L3MBTL1KDM4ECYP1A2
SCHEMBL68035 0.90 L3MBTL1 (0.57) KMT2AMEN1L3MBTL1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL69156 0.90 APP (0.51) KMT2AMEN1L3MBTL1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL68501 0.89 L3MBTL1 (0.56) KMT2AMEN1L3MBTL1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL68031 0.89 LMNA (0.45) KMT2AMEN1L3MBTL1KDM4ECYP1A2
SCHEMBL68160 0.88 L3MBTL1 (0.53) KMT2AMEN1L3MBTL1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL68798 0.87 CYP2D6 (0.43) KMT2AMEN1L3MBTL1KDM4ECYP1A2

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 11 patents. 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
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-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 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
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 KMT2A 844/4885MEN1 1535/4885L3MBTL1 3885/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 KMT2A 1187/4885MEN1 1782/4885L3MBTL1 2730/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 KMT2A 1187/4885MEN1 1782/4885L3MBTL1 2730/4885

“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.