SCHEMBL1345200

SCHEMBL1345200

COc1cc(COc2ccc(CNC3CCNC3=O)cc2C)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
HPGDS O60760 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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 0.91 NPC1 (0.44) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL1347594 0.89 PDCD1LG2 (0.37) CD274PDCD1LG2ALDH1A1TSHRHPGDS
SCHEMBL1344906 0.89 GPR52 (0.40) CD274KDM1AMAOAMAOBPDCD1LG2
SCHEMBL1346953 0.86 FFAR4 (0.47) CD274KDM1AMAOAMAOBPPARA
SCHEMBL1346709 0.86 TSHR (0.43) CD274PDCD1LG2ALDH1A1TSHRPPARA
SCHEMBL1346347 0.85 PPARA (0.47) CD274PDCD1LG2PDGFRBKDRPPARA
SCHEMBL1347008 0.85 SLC6A2 (0.48) MAOAMAOBALDH1A1PDGFRBKDR
SCHEMBL1344549 0.84 HTR6 (0.48) CD274PDCD1LG2PDGFRBKDRPPARA
SCHEMBL1346600 0.84 HTR6 (0.48) CD274PDCD1LG2PDGFRBKDRPPARA
SCHEMBL1346972 0.83 SCN9A (0.43) MAOBPPARAPPARD

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 CD274 3979/4885KDM1A 3127/4885MAOA 4191/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D CD274 3979/4885KDM1A 3127/4885MAOA 4191/4885

“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.