SCHEMBL1346503

SCHEMBL1346503

COc1cc(CNC2CCNC2=O)cc(Br)c1OCCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.45
LMNA P02545 5/20 0.43
KMT2A Q03164 9/20 0.42
MEN1 O00255 8/20 0.42
NPSR1 Q6W5P4 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.39
UBE2N P61088 1/20 0.39
KDM1A O60341 2/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39

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
SCHEMBL1344708 0.93 KDM1A (0.42) MITFLMNAKMT2AMEN1NPSR1
SCHEMBL1346348 0.89 KMT2A (0.54) MITFLMNAKMT2AMEN1NPSR1
SCHEMBL1346327 0.86 S1PR2 (0.51) MITFLMNAKMT2AMEN1MAPT
SCHEMBL1346502 0.86 KMT2A (0.40) MITFLMNAKMT2AMEN1NPSR1
SCHEMBL1344673 0.84 MITF (0.42) MITFLMNAKMT2AMEN1NPSR1
SCHEMBL1346315 0.84 KDM4E (0.47) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1346373 0.83 MITF (0.46) MITFLMNAKMT2AMEN1NPSR1
SCHEMBL1346179 0.83 CTSK (0.37) LMNAKMT2AMEN1NPSR1MAPT
SCHEMBL1344710 0.83 VEGFA (0.38) KMT2AMEN1KDM4EPDCD1LG2CD274
SCHEMBL1346225 0.82 KMT2A (0.47) MITFLMNAKMT2AMEN1NPSR1

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 16 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-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 MITF 1375/4885LMNA 3866/4885KMT2A 3301/4885
US-20100048665-A1 3-AMINOPYRROLIDONE DERIVATIVES TRPC3, TRPV3, CACNA1D MITF 1375/4885LMNA 3866/4885KMT2A 3301/4885

“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.