SCHEMBL92218

SCHEMBL92218

COc1cc(CCNC(=O)OC(C)(C)C)ccc1OCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL5729170 0.85 CTSS (0.54) POLBTP53CA1CA2
SCHEMBL19742789 0.84 MTNR1A (0.58) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL67796 0.84 MAOB (0.54)
SCHEMBL25300742 0.83 MTNR1A (0.56) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL30517507 0.83 MTNR1A (0.56) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL31432851 0.82 CA12 (0.64) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL903446 0.82 CA12 (0.64) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL67434 0.81 KMT2A (0.58) MTNR1AMTNR1BMEN1KMT2AATM
Hydrochloric Acid SCHEMBL67433 0.80 KMT2A (0.57) MTNR1AMTNR1BMEN1KMT2AATM
SCHEMBL5355912 0.79 CA12 (0.50) MEN1KMT2AATMCA12CA1

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 15 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 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-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-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

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 MTNR1A 334/4885MTNR1B 475/4885MEN1 1535/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 MTNR1A 597/4885MTNR1B 825/4885MEN1 1782/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 MTNR1A 597/4885MTNR1B 825/4885MEN1 1782/4885

“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.