SCHEMBL1546958

SCHEMBL1546958

O=[N+]([O-])c1ccc(C2CCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 5/20 0.47
BCHE P06276 4/20 0.47
BACE1 P56817 4/20 0.47
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.46
DRD2 P14416 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL13634368 0.86 BLM (0.55) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL1546481 0.83 HTT (0.56) MAPK1MAPTPKMRAB9AACHE
SCHEMBL2771960 0.80 CCR5 (0.52) DRD2SIGMAR1LMNA
SCHEMBL4190298 0.80 KMT2A (0.61) MAPK1MAPTPKMRAB9AACHE
SCHEMBL4192734 0.80 KMT2A (0.61) MAPK1MAPTPKMRAB9AACHE
SCHEMBL4190305 0.80 KMT2A (0.61) MAPK1MAPTPKMRAB9AACHE
SCHEMBL1546767 0.79 DRD2 (0.50) ACHEBCHEBACE1KMT2ADRD2
SCHEMBL227230 0.78 MAPK1 (0.58) MAPK1MAPTPKMRAB9AACHE
SCHEMBL1546399 0.77 MEN1 (0.55) MAPK1MAPTPKMRAB9AACHE
SCHEMBL5667366 0.75 CCR5 (0.50) MAPK1MAPTNPSR1ACHEBCHE

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-8470810-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-06-25 US disclosed
US-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2011-06-30 US disclosed
EP-2311802-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-2311803-A1 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-04-20 EP disclosed
EP-1814849-B1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-04-06 EP disclosed
US-7851463-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-12-14 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US disclosed
EP-1814849-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-08 EP disclosed
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 US disclosed
WO-2006040182-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 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 (3 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-20110160176-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR DRD3, CHRNA3, CHRM3 MAPK1 1170/4885MAPT 3780/4885PKM 3147/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 MAPK1 153/4885MAPT 3834/4885PKM 787/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 MAPK1 1162/4885MAPT 3892/4885PKM 3191/4885

“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.