SCHEMBL1344679

SCHEMBL1344679

COc1cc(COc2ccc(CNC3CCNC3=O)cc2OC)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
GAA P10253 4/20 0.42
CALM1 P0DP23 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PLK1 P53350 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL1345200 0.91 CD274 (0.38) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1347594 0.90 PDCD1LG2 (0.37) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1344906 0.90 GPR52 (0.40) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL1347382 0.88 NPC1 (0.58) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1346781 0.87 TUBB4A (0.42) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL1346709 0.87 TSHR (0.43) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1347943 0.86 MEN1 (0.52) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1346193 0.85 KDM4E (0.41) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1346572 0.85 NPC1 (0.45) NPC1RAB9APKMKMT2AMEN1
SCHEMBL1346315 0.83 KDM4E (0.47) NPC1RAB9APKMKMT2AMEN1

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 14 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-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 2736/4885RAB9A 1681/4885PKM 1004/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D NPC1 2736/4885RAB9A 1681/4885PKM 1004/4885

“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.