SCHEMBL1347044

SCHEMBL1347044

COc1cc(CNC2CCNC2=O)ccc1OCC=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL1346922 0.90 KDM1A (0.39) KDM4EKDM1AKMT2AMEN1ALDH1A1
SCHEMBL1347100 0.90 MAOA (0.38) KDM4ENPC1KDM1AMAOAMAOB
SCHEMBL1345967 0.88 MAOA (0.37) KDM1AMAOAMAOBCD274
SCHEMBL1346170 0.88 NAAA (0.36) NPC1RAB9AMAOAMAOBMAPT
SCHEMBL1344673 0.85 MITF (0.42) KDM4EPKMKDM1AKMT2AMEN1
SCHEMBL1347382 0.84 NPC1 (0.58) KDM4ENPC1PKMRAB9AKMT2A
SCHEMBL1346315 0.83 KDM4E (0.47) KDM4ENPC1PKMRAB9AKDM1A
SCHEMBL1346145 0.82 NAAA (0.37) NPC1RAB9AMAOAMAOBKMT2A
SCHEMBL1346164 0.78 S1PR2 (0.48) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1347037 0.77 KDM4E (0.43) KDM4ENPC1PKMRAB9AKDM1A

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 KDM4E 2418/4885NPC1 2736/4885PKM 1004/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D KDM4E 2418/4885NPC1 2736/4885PKM 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.