SCHEMBL68159

SCHEMBL68159

O=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
PPARG P37231 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PIK3C2A O00443 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4649918 0.89 PPARA (0.39) PPARA
Hydrochloric Acid SCHEMBL67918 0.88 PPARA (0.39) PPARA
SCHEMBL69411 0.85 PPARA (0.40) LMNAKMT2APPARA
Hydrochloric Acid SCHEMBL69414 0.84 MAOB (0.44) PPARA
Hydrochloric Acid SCHEMBL70566 0.83 PPARA (0.40) PPARGPPARA
Hydrochloric Acid SCHEMBL67921 0.83 PPARA (0.41) PPARGPPARA
SCHEMBL69070 0.82 MRGPRX4 (0.46) PPARA
SCHEMBL67655 0.82 MAPT (0.45)
SCHEMBL69288 0.81 PPARA (0.42) ALDH1A1PPARA
SCHEMBL67451 0.81 MAOB (0.41) ALDH1A1L3MBTL1PPARA

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 10 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
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN 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
CN-101309909-A 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA (IT) 2008-11-19 CN 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 LMNA 1166/4885NPSR1 373/4885PPARG 2429/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 LMNA 565/4885NPSR1 884/4885PPARG 2304/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 LMNA 565/4885NPSR1 884/4885PPARG 2304/4885

“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.