SCHEMBL1344906

SCHEMBL1344906

COc1cc(COc2ccc(CNC3CCNC3=O)cc2F)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
SCN9A Q15858 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CD274 Q9NZQ7 3/20 0.38
KDM4E B2RXH2 2/20 0.37
PDCD1LG2 Q9BQ51 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1344679 0.90 NPC1 (0.44) KDM4ELMNAALDH1A1TSHRMEN1
SCHEMBL1345200 0.89 CD274 (0.38) KDM1AMAOAMAOBPPARGPPARD
SCHEMBL1347594 0.88 PDCD1LG2 (0.37) CD274KDM4EPDCD1LG2LMNAALDH1A1
SCHEMBL1346734 0.85 S1PR5 (0.49) GPR52SCN9AKDM1AMAOAMAOB
SCHEMBL1346709 0.85 TSHR (0.43) PPARACD274KDM4EPDCD1LG2LMNA
SCHEMBL1347251 0.83 SLC6A4 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1346554 0.83 SCN9A (0.44) SCN9AMAOBHTR1ASLC6A2SLC6A4
SCHEMBL1346781 0.81 TUBB4A (0.42) CD274KDM4EPDCD1LG2LMNAALDH1A1
SCHEMBL1346002 0.81 S1PR2 (0.48) GPR52PSEN1PSEN2APH1BNCSTN
SCHEMBL1347283 0.81 SCN9A (0.41) GPR52PSEN1PSEN2APH1BNCSTN

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 18 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-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 GPR52 633/4885PSEN1 980/4885PSEN2 837/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D GPR52 633/4885PSEN1 980/4885PSEN2 837/4885

“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.