SCHEMBL67336

SCHEMBL67336

COc1cc(CCNC(C(=O)N(C)C)c2ccccc2)ccc1OCc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
APP P05067 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
BCHE P06276 1/20 0.46
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 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 SCHEMBL68957 0.99 KMT2A (0.49) KMT2AMEN1MTNR1AMTNR1BAPP
SCHEMBL67661 0.90 MTNR1A (0.52) KMT2AMEN1MTNR1AMTNR1BAPP
SCHEMBL69774 0.88 CYP2D6 (0.52) KMT2AMEN1MTNR1AMTNR1BAPP
Hydrochloric Acid SCHEMBL67737 0.87 CYP2D6 (0.52) KMT2AMEN1MTNR1AMTNR1BAPP
SCHEMBL17210774 0.85 MTNR1A (0.48) KMT2AMEN1MTNR1AMTNR1BAPP
Hydrochloric Acid SCHEMBL71357 0.84 KMT2A (0.47) KMT2AMEN1MTNR1AMTNR1BAPP
SCHEMBL67169 0.82 KMT2A (0.48) KMT2AMEN1MTNR1AMTNR1BAPP
Hydrochloric Acid SCHEMBL67204 0.82 KMT2A (0.45) KMT2AMEN1MTNR1AMTNR1BKDM4E
Hydrochloric Acid SCHEMBL68729 0.81 KMT2A (0.47) KMT2AMEN1MTNR1AMTNR1BAPP
SCHEMBL68133 0.81 KMT2A (0.54) KMT2AMEN1MTNR1AMTNR1BABCB1

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 23 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
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
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-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 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-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 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-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
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 (2 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 1535/4885MTNR1A 334/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 KMT2A 1187/4885MEN1 1782/4885MTNR1A 597/4885

“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.