SCHEMBL69867

SCHEMBL69867

CNC(=O)CN(CCc1cccc(-c2cccc(F)c2)c1)Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 SCHEMBL69117 0.99 PPARA (0.41) PPARATP53MAPTHPGDCA12
Hydrochloric Acid SCHEMBL68694 0.87 PPARA (0.43) PPARATP53MAPTHPGDOPRM1
Hydrochloric Acid SCHEMBL69811 0.85 PPARA (0.48) PPARATP53HPGDTSHRUSP2
Hydrochloric Acid SCHEMBL70144 0.85 NPC1 (0.44) PPARAMAPTMEN1KMT2AALDH1A1
SCHEMBL69113 0.84 DRD2 (0.46) OPRM1OPRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL69414 0.84 MAOB (0.44) PPARATP53MAPT
SCHEMBL70854 0.81 CYP2C19 (0.43) HPGDTSHRUSP2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL69134 0.81 CYP1A2 (0.42) PPARAMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL70465 0.81 ALDH1A1 (0.43) PPARATP53MAPTMEN1KMT2A
SCHEMBL14518392 0.80 POLB (0.43) PPARACA12CA1CA2CA4

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 28 patents — showing the first 20. 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 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-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US claimed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 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
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-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-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 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 (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 1950/4885TP53 4362/4885MAPT 964/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 PPARA 1574/4885TP53 4356/4885MAPT 1275/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 PPARA 1574/4885TP53 4356/4885MAPT 1275/4885

“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.