SCHEMBL2167250

SCHEMBL2167250

CNC(=O)[C@@H](C)NCc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAOB P27338 5/20 0.53
MAOA P21397 2/20 0.53
LMNA P02545 1/20 0.52
NR4A2 P43354 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2828868 1.00 SCN9A (0.57) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL2167254 1.00 SCN9A (0.57) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL2168493 0.96 SCN9A (0.53) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL2168485 0.96 SCN9A (0.53) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL966440 0.87 SCN9A (0.75) SCN9ATP53GAAMAPTMAOB
SCHEMBL2186343 0.87 SCN9A (0.75) SCN9ATP53GAAMAPTMAOB
SCHEMBL2187391 0.87 SCN9A (0.75) SCN9ATP53GAAMAPTMAOB
SCHEMBL1069207 0.86 TP53 (0.55) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL7397891 0.86 TP53 (0.55) SCN9ATP53GAAMAPTCYP1A2
SCHEMBL3289301 0.86 SCN9A (0.77) SCN9AMAOBMAOA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184068-A1 USE OF (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES FOR THE MANUFACTURE OF MEDICAMENTS ACTIVE AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-07-28 US claimed
EP-1809271-B9 USE OF (R)-(HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARM SPA (IT) 2010-09-22 EP claimed
EP-1809271-B1 USE OF (R)-(HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARM SPA (IT) 2010-06-16 EP claimed
US-20080096965-A1 (Halobenzyloxy) Benzylamino-Propanamides as Sodium and/or Calcium Channel Selective Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-04-24 US claimed
EP-1809271-A2 (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2007-07-25 EP claimed
WO-2006027052-A2 (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-03-16 WO claimed
US-20110184068-A1 USE OF (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES FOR THE MANUFACTURE OF MEDICAMENTS ACTIVE AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-07-28 US disclosed
EP-1809271-B9 USE OF (R)-(HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARM SPA (IT) 2010-09-22 EP disclosed
EP-1809271-B1 USE OF (R)-(HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARM SPA (IT) 2010-06-16 EP disclosed
US-20080096965-A1 (Halobenzyloxy) Benzylamino-Propanamides as Sodium and/or Calcium Channel Selective Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2008-04-24 US disclosed
EP-1809271-A2 (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2007-07-25 EP disclosed
WO-2006027052-A2 (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-03-16 WO disclosed
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 US disclosed
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 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 (2 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-20110184068-A1 USE OF (HALOBENZYLOXY) BENZYLAMINO-PROPANAMIDES FOR THE MANUFACTURE OF MEDICAMENTS ACTIVE AS SODIUM AND/OR CALCIUM CHANNEL SELECTIVE MODULATORS TRPV1, CACNA1E, CACNA1B SCN9A 114/4885TP53 4766/4885GAA 2576/4885
US-20080096965-A1 (Halobenzyloxy) Benzylamino-Propanamides as Sodium and/or Calcium Channel Selective Modulators CACNA1E, TRPV1, KCNN2 SCN9A 111/4885TP53 4643/4885GAA 1789/4885

“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.