SCHEMBL4485709

SCHEMBL4485709

Clc1c[c]ccc1N1CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
PTGS1 P23219 1/20 0.37
DRD2 P14416 5/20 0.34
DRD3 P35462 5/20 0.34
ADRB1 P08588 2/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
RAB9A P51151 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL4880816 0.82 ALDH1A1 (0.44) ADRB1KDM4EALDH1A1L3MBTL1LMNA
SCHEMBL4113163 0.81 DRD2 (0.51) DRD2DRD3KDM4EALDH1A1L3MBTL1
SCHEMBL1897597 0.80 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL4430996 0.80 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1LMNAHTT
SCHEMBL2125041 0.77 MAPT (0.50) KDM4EALDH1A1LMNAHTT
SCHEMBL27586331 0.77 LGMN (0.40) ADRB1KDM4EALDH1A1L3MBTL1
SCHEMBL27769716 0.77 CYP2D6 (0.45) CHRM1DRD2DRD3KDM4ELMNA
SCHEMBL17838712 0.77 KDM4E (0.41) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL10756068 0.77 DRD4 (0.60) DRD2DRD3KDM4EALDH1A1PLA2G1B
SCHEMBL10926967 0.74

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028585-A Arylalkanazole derivatives and use thereof 聊城大学 2022-09-09 CN claimed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP claimed
CN-100383110-C Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE SPA (IT) 2008-04-23 CN claimed
CN-100368394-C N- (2-aryl-propionyl) -sulfonamides and pharmaceutical compositions containing them DOMPE SPA (IT) 2008-02-13 CN claimed
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US claimed
CN-1732145-A Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE SPA (IT) 2006-02-08 CN claimed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP claimed
US-6887903-B1 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. (IT) 2005-05-03 US claimed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 WO claimed
US-6683205-B2 FROM ARYLCARBOXYALDEHYDES OR 2-ARYL-3-HYDROXYPROPENOIC ACIDS WISYS TECHNOLOGY FOUNDATION, INC. 2004-01-27 US claimed
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 US claimed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP claimed
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-29 US claimed
EP-0991793-B1 METHOD FOR PREPARING 2-ARYL OR 2-HETEROCYCLYL CHIRAL PROPIONIC ACIDS AND THEIR ESTERS CT NAT DE BR LA RECH SCIENT (FR) 2001-12-05 EP claimed
US-6294069-B1 MIXTURE OF PROPIONIC ACID DERIVATIVE IS ELECTROCHEMICALLY REDUCED IN THE PRESENCE OF NICKEL COMPLEX CATALYST AND SUPPORTING ELECTROLYTE IN ELECTROLYSIS CELL PROVIDED WITH ELECTRODES, PRODUCT IS HYDROLYZED OR TRANSESTERIFIED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-09-25 US claimed
EP-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP claimed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 WO claimed
CN-115028585-B Arylalkylazole derivative and application thereof 聊城大学 2023-08-18 CN disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 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-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them ELANE, MPO, FPR1 CHRM1 2321/4885PTGS1 29/4885DRD2 2754/4885
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 CHRM1 3769/4885PTGS1 664/4885DRD2 2787/4885
US-20020120153-A1 Synthesis of 2-aryl propenoic acid esters for the production of non-steroidal anti-inflammatory drugs ALOX15, ALOX15B, ALOX5 CHRM1 2539/4885PTGS1 14/4885DRD2 915/4885

“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.