SCHEMBL69411

SCHEMBL69411

O=C(CN(CCc1cccc(OCc2cccc(F)c2)c1)Cc1ccco1)Nc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
NR4A2 P43354 1/20 0.38
MAOB P27338 3/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
MAOA P21397 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ELANE P08246 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35

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 SCHEMBL67921 0.87 PPARA (0.41) PPARANR4A2MAOBTP53MAPT
Hydrochloric Acid SCHEMBL69414 0.86 MAOB (0.44) PPARANR4A2MAOBTP53MAPT
SCHEMBL68159 0.85 LMNA (0.46) PPARALMNAKMT2A
SCHEMBL4649918 0.83 PPARA (0.39) PPARANR4A2MAOBTP53MAPT
SCHEMBL69070 0.83 MRGPRX4 (0.46) PPARANR4A2MAOBTP53MAPT
Hydrochloric Acid SCHEMBL70566 0.82 PPARA (0.40) PPARANR4A2MAOBTP53MAPT
Hydrochloric Acid SCHEMBL67918 0.82 PPARA (0.39) PPARANR4A2MAOBTP53MAPT
SCHEMBL67655 0.82 MAPT (0.45) NR4A2MAOBTP53MAPTMRGPRX4
SCHEMBL67451 0.82 MAOB (0.41) PPARANR4A2MAOBTP53MAPT
Hydrochloric Acid SCHEMBL69592 0.81 MAOB (0.41) PPARANR4A2MAOBTP53MAPT

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 PPARA 1950/4885NR4A2 807/4885MAOB 1068/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 PPARA 1574/4885NR4A2 1006/4885MAOB 2154/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 PPARA 1574/4885NR4A2 1006/4885MAOB 2154/4885

“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.