SCHEMBL3545118

SCHEMBL3545118

CSc1nccc(OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.43
MAPK14 Q16539 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
LTA4H P09960 1/20 0.41
NUDT1 P36639 1/20 0.41
PKM P14618 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL8562004 0.78 ALOX5 (0.46) MAPK14GAAHTTPTGESALOX5
SCHEMBL8557424 0.78 KMT2A (0.61) GAAHTTPTGESALOX5PPARG
SCHEMBL753735 0.78 L3MBTL1 (0.47) ALKBH1MAPK14HTTLTA4HNUDT1
SCHEMBL2410520 0.78 GAA (0.48) GAAHTTNUDT1ADORA3L3MBTL1
SCHEMBL8558770 0.77 ALOX5 (0.48) GAAHTTPTGESALOX5PPARG
SCHEMBL8561075 0.77 ALOX5 (0.48) MAPK14GAAHTTPTGESALOX5
SCHEMBL5906918 0.77 ENPP3 (0.52) MAPK14L3MBTL1RAB9AMEN1NPC1
SCHEMBL9121662 0.77 HTT (0.59) GAAHTTLTA4HL3MBTL1RAB9A
SCHEMBL1163924 0.76 ALKBH1 (0.47) ALKBH1MAPK14ALOX5LTA4HNUDT1
SCHEMBL4271456 0.76 ALKBH1 (0.47) ALKBH1MAPK14GAAHTTALOX5

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD TOPAZ THERAPEUTICS INC (US) 2026-01-22 US disclosed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1926723-A2 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LIMITED (GB) 2008-06-04 EP disclosed
WO-2007022934-A2 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
EP-0877744-B1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-08-11 EP disclosed
WO-2003002543-A1 PYRIMIDINOXYALKYLPIPERAZINES AND THEIR THERAPEUTIC USE ABBOTT LABORATORIES (US) 2003-01-09 WO disclosed
US-6352981-B1 TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-6214822-B1 PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
EP-0877744-A1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-11-18 EP disclosed
US-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed
WO-1997025324-A1 SUBSTITUTED AZA- AND DIAZACYCLOHEPTANE AND CYCLOOCTANE COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-17 WO disclosed
EP-0707001-A1 Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-17 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-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 ALKBH1 4146/4885MAPK14 1913/4885GAA 4437/4885
US-20260021192-A1 PROTEINS HAVING A COVALENT WARHEAD RIOX2, ORC3, DCLRE1A ALKBH1 2567/4885MAPK14 4042/4885GAA 4545/4885

“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.