SCHEMBL91437

SCHEMBL91437

CC(Cc1ccc(OCc2ccccc2)cc1)N[C@@H](C)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
SIGMAR1 Q99720 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 1/20 0.54
PPARG P37231 2/20 0.54
PARP10 Q53GL7 1/20 0.52
PPARA Q07869 1/20 0.52
ALOX5 P09917 1/20 0.52
LAP3 P28838 1/20 0.52

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
SCHEMBL6926789 1.00 LTA4H (0.56) LTA4HSIGMAR1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL69162 0.99 LTA4H (0.55) LTA4HSIGMAR1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27720376 0.99 LTA4H (0.55) LTA4HSIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL11445970 0.82 MAOB (0.60) LTA4HMAOBPPARGPARP10PPARA
SCHEMBL6927226 0.82 SIGMAR1 (0.62) LTA4HSIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7403715 0.82 MAOB (0.74) MAOB
SCHEMBL4456855 0.82 MAOB (0.74) MAOB
SCHEMBL1070615 0.82 MAOB (0.74) MAOB
SCHEMBL16541091 0.81 SIGMAR1 (0.60) LTA4HSIGMAR1NPC1RAB9AMAOB
Hydrochloric Acid SCHEMBL69163 0.80 MME (0.49) NPC1RAB9ASMN1; SMN2

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 7 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
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
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 LTA4H 2495/4885SIGMAR1 435/4885NPC1 2394/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 LTA4H 2845/4885SIGMAR1 849/4885NPC1 619/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 LTA4H 2845/4885SIGMAR1 849/4885NPC1 619/4885

“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.