SCHEMBL1346972

SCHEMBL1346972

Cc1cc(CNC2CCNC2=O)ccc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
FFAR4 Q5NUL3 3/20 0.40
MAOB P27338 1/20 0.40
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
SLC6A4 P31645 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR2 O15552 1/20 0.39
PTPN1 P18031 3/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL1346999 0.91 FFAR4 (0.53) SCN9AMRGPRX4FFAR4MAOBSLC6A4
SCHEMBL1346572 0.89 NPC1 (0.45) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1346610 0.89 SCN9A (0.44) SCN9AMAOBPPARDPPARAHTR6
SCHEMBL1346554 0.89 SCN9A (0.44) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1346346 0.89 SCN9A (0.44) SCN9AMAOBPPARDPPARAHTR6
SCHEMBL1347008 0.89 SLC6A2 (0.48) MAOBPPARASLC6A4HTR6
SCHEMBL1346701 0.88 PTPN1 (0.48) SCN9AMAOBSLC6A4PTPN1
SCHEMBL1346953 0.88 FFAR4 (0.47) FFAR4MAOBPPARASLC6A4FFAR1
SCHEMBL1346347 0.87 PPARA (0.47) SCN9AMRGPRX4FFAR4PPARASLC6A4
SCHEMBL1347060 0.85 FFAR1 (0.53) SCN9AFFAR4MAOBSLC6A4FFAR1

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
CN-1882536-A 3-aminopyrrolidone derivatives NEWRON PHARM SPA (IT) 2006-12-20 CN 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
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 690/4885MRGPRX4 2256/4885FFAR4 819/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D SCN9A 690/4885MRGPRX4 2256/4885FFAR4 819/4885

“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.