SCHEMBL1346572

SCHEMBL1346572

COc1cc(CNC2CCNC2=O)ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
SCN9A Q15858 3/20 0.43
PLK1 P53350 1/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
MAOB P27338 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 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
SCHEMBL1346343 0.90 HTT (0.46) SCN9AKMT2AMEN1MAOBGAA
SCHEMBL1346972 0.89 SCN9A (0.43) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1346554 0.88 SCN9A (0.44) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1347382 0.88 NPC1 (0.58) NPC1PKMRAB9AKMT2AMEN1
SCHEMBL1346701 0.87 PTPN1 (0.48) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1347187 0.86 KMT2A (0.46) SCN9AKMT2AMEN1GAASMN1; SMN2
SCHEMBL1344679 0.85 NPC1 (0.44) NPC1PKMRAB9APLK1KMT2A
SCHEMBL1347943 0.83 MEN1 (0.52) NPC1PKMRAB9APLK1KMT2A
SCHEMBL1346576 0.82 SCN9A (0.49) SCN9AMAOBPTPN1
SCHEMBL1346346 0.82 SCN9A (0.44) SCN9AMAOB

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-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
JP-2007511564-A 2007-05-10 JP claimed
EP-1685103-A1 3-AMINOPYRROLIDONE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-02 EP claimed
WO-2005054190-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO 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
EP-1685103-A1 3-AMINOPYRROLIDONE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-02 EP disclosed
WO-2005054190-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO 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 NPC1 2736/4885PKM 1004/4885RAB9A 1681/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D NPC1 2736/4885PKM 1004/4885RAB9A 1681/4885

“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.