SCHEMBL1346901

SCHEMBL1346901

O=C1NCCC1NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.46
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 2/20 0.44
PIM1 P11309 1/20 0.44
PDGFRA P16234 1/20 0.44
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
PRMT5 O14744 1/20 0.41
F10 P00742 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
PTPN1 P18031 1/20 0.39
AR P10275 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
SCHEMBL1347268 0.86 MAOB (0.45) S1PR1S1PR5PDGFRAMAOBMAOA
SCHEMBL1346576 0.86 SCN9A (0.49) SCN9AMAOBMAOAPRMT5PTPN1
SCHEMBL1346483 0.82 CD274 (0.47) S1PR1S1PR5PDCD1LG2CD274PRKX
SCHEMBL5406506 0.80 F10 (0.44) SCN9AS1PR1S1PR5PIM1PDGFRA
SCHEMBL1347003 0.79 CD274 (0.46) SCN9AS1PR1S1PR5MAOBMAOA
SCHEMBL1346346 0.77 SCN9A (0.44) SCN9AMAOBPRMT5F10MCHR1
SCHEMBL1344640 0.77 MAOB (0.52) SCN9AS1PR1S1PR5PDGFRAMAOB
SCHEMBL1346554 0.77 SCN9A (0.44) SCN9AS1PR1S1PR5MAOBF10
SCHEMBL1346610 0.77 SCN9A (0.44) SCN9AMAOBPRMT5F10MCHR1
SCHEMBL1346701 0.77 PTPN1 (0.48) SCN9AMAOBF10PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063039-B2 3-aminopyrrolidone derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-11-22 US claimed
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A., (IT) 2010-02-25 US claimed
EP-1685103-B1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARM SPA (IT) 2008-07-30 EP claimed
US-20070135410-A1 3-Aminopyrrolidone derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US claimed
CN-1882536-A 3-aminopyrrolidone derivatives NEWRON PHARM SPA (IT) 2006-12-20 CN claimed
EP-1533298-A1 3-aminopyrrolidone derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-05-25 EP claimed
US-8063039-B2 3-aminopyrrolidone derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-11-22 US disclosed
US-7968592-B2 3-aminopyrrolidone derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-06-28 US disclosed
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A., (IT) 2010-02-25 US disclosed
EP-1685103-B1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARM SPA (IT) 2008-07-30 EP disclosed
US-20070135410-A1 3-Aminopyrrolidone derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US disclosed
CN-1882536-A 3-aminopyrrolidone derivatives NEWRON PHARM SPA (IT) 2006-12-20 CN disclosed
EP-1533298-A1 3-aminopyrrolidone derivatives Newron Pharmaceuticals S.p.A. (IT) 2005-05-25 EP 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-20070135410-A1 3-Aminopyrrolidone derivatives TRPC3, TRPV3, CACNA1D SCN9A 690/4885S1PR1 1661/4885S1PR5 1466/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D SCN9A 690/4885S1PR1 1661/4885S1PR5 1466/4885

“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.