SCHEMBL1346701

SCHEMBL1346701

O=C1NCCC1NCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.48
SCN9A Q15858 4/20 0.43
SLC6A4 P31645 3/20 0.39
MAOB P27338 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
F10 P00742 1/20 0.36
PREP P48147 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
PPARG P37231 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL1346554 0.89 SCN9A (0.44) PTPN1SCN9ASLC6A4MAOBHTR1A
SCHEMBL1346972 0.88 SCN9A (0.43) PTPN1SCN9ASLC6A4MAOB
SCHEMBL1346913 0.88 PTPN1 (0.43) PTPN1SLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL1346572 0.87 NPC1 (0.45) PTPN1SCN9ASLC6A4MAOB
SCHEMBL1347187 0.85 KMT2A (0.46) PTPN1SCN9A
SCHEMBL1346576 0.83 SCN9A (0.49) PTPN1SCN9AMAOB
SCHEMBL1346478 0.83 SLC6A4 (0.47) PTPN1SCN9ASLC6A4MAOBHTR1A
SCHEMBL1347594 0.82 PDCD1LG2 (0.37)
SCHEMBL1346343 0.81 HTT (0.46) SCN9AMAOB
SCHEMBL1346346 0.81 SCN9A (0.44) SCN9AMAOBF10

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 PTPN1 2475/4885SCN9A 690/4885SLC6A4 273/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D PTPN1 2475/4885SCN9A 690/4885SLC6A4 273/4885

“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.