SCHEMBL3500189

SCHEMBL3500189

Clc1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
IDO1 P14902 1/20 0.47
ALOX5 P09917 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
AHR P35869 1/20 0.43
CYP1A2 P05177 1/20 0.42
RECQL P46063 1/20 0.42
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAPT P10636 1/20 0.41
GCGR P47871 1/20 0.41
CNR1 P21554 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
BACE1 P56817 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPKAPK2 P49137 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
SCHEMBL4027001 0.88 IDO1 (0.55) MAP4K4IDO1CCNCCDK8RECQL
SCHEMBL25070215 0.84 ADORA2A (0.54) IDO1CCNCCDK8CYP1A2CNR1
SCHEMBL4672168 0.84 LMNA (0.52) IDO1CCNCCDK8RECQLLOX
SCHEMBL4932513 0.83 MAPK14 (0.52) MAP4K4IDO1CCNCCDK8RECQL
SCHEMBL28163101 0.83 CCNC (0.46) MAP4K4IDO1CCNCCDK8RECQL
SCHEMBL14770762 0.83 IDO1 (0.44) IDO1CCNCCDK8RECQLLOX
SCHEMBL12050763 0.83 ESR2 (0.47) IDO1ALOX5CCNCCDK8RECQL
SCHEMBL29461217 0.82 ADORA2A (0.56) IDO1CCNCCDK8CYP1A2RECQL
SCHEMBL2329610 0.82 ADORA2A (0.56) IDO1CCNCCDK8CYP1A2RECQL
SCHEMBL16242324 0.82 MAP4K4 (0.62) MAP4K4ALOX5AHRCYP1A2MAPT

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-A1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET (FR) 2006-05-24 EP disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 MAP4K4 2372/4885IDO1 4261/4885ALOX5 3405/4885
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES DRD2, HTR2C, DRD3 MAP4K4 1599/4885IDO1 1529/4885ALOX5 2065/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 MAP4K4 322/4885IDO1 320/4885ALOX5 263/4885

“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.