SCHEMBL68700

SCHEMBL68700

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.42

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 SCHEMBL17200178 0.99 HCRTR2 (0.50) HCRTR2MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL67379 0.99 HCRTR2 (0.50) HCRTR2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL68615 0.89 HCRTR2 (0.54) HCRTR2MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL68575 0.88 HCRTR2 (0.53) HCRTR2MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL69451 0.88 HCRTR2 (0.62) HCRTR2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL68160 0.87 L3MBTL1 (0.53) HCRTR2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL69065 0.87 MEN1 (0.55) HCRTR2MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL70243 0.86 MEN1 (0.54) HCRTR2MEN1KMT2AL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL17200180 0.86 MEN1 (0.54) HCRTR2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL67981 0.85 L3MBTL1 (0.54) HCRTR2MEN1KMT2AL3MBTL1KDM4E

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 16 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
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-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
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

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 HCRTR2 335/4885MEN1 1535/4885KMT2A 844/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 HCRTR2 359/4885MEN1 1782/4885KMT2A 1187/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 HCRTR2 359/4885MEN1 1782/4885KMT2A 1187/4885

“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.