SCHEMBL643984

SCHEMBL643984

O=C1c2ccccc2C(=O)N1C/C=C/CCl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.51
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
GLS O94925 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ALDH3A1 P30838 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL644937 1.00 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL2319856 1.00 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL4476083 0.90 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL8950475 0.90 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL4468251 0.90 CASP3 (0.60) CASP3CA12CA9GLSALDH1A1
SCHEMBL21901972 0.82 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL25302148 0.81 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL9761279 0.81 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL23077378 0.81 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1
SCHEMBL12439955 0.81 CASP3 (0.51) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317416-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
WO-2002022559-A2 2-AMINO-2-ALKYL-4 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
CN-109419802-B Compounds having dopamine D3 receptor modulating activity and uses thereof 中国人民解放军军事医学科学院毒物药物研究所(CN) 2023-01-13 CN disclosed
EP-2354136-B1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INST PHARM & TOXICOLOGY AMMS (CN) 2016-02-24 EP disclosed
US-9227944-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY SCIENCE P.L.A. CHINA (CN) 2016-01-05 US disclosed
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2014-11-06 US disclosed
US-8829001-B2 Dopamine D3 receptor ligands and preparation and medical uses of the same The Institute of Pharmacology and Toxicology Academy of Military Medical Science P.L.A. China (CN) 2014-09-09 US disclosed
US-8119642-B2 Structurally rigid dopamine D3 receptor selective ligands and process for making them THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-21 US disclosed
US-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME Institute of Pharmacology and Toxicology Academy of Military Medical Science, P.L.A (CN) 2011-12-29 US disclosed
CN-102264733-A novel dopamine D3 receptor ligand, preparation method and medical application thereof 2011-11-30 CN disclosed
EP-2354136-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS, THE PREPARATION AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-10 EP disclosed
US-5877196-A N- 4-(imidazolyl or pyrazolyl)phenyl(oxy, sulfinyl, sulfenyl or sulfonyl)alkyl!carboxamides, sulfonamides or phosphoramides having antiarrhythmic properties AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
EP-0641789-B1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 1997-12-03 EP disclosed
US-5401739-A Benzothiadiazine derivatives TAIHO PHARMACEUTICAL CO. LTD. (JP) 1995-03-28 US disclosed
EP-0641789-A1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1995-03-08 EP disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
US-4568687-A THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 US disclosed
US-4489089-A INHIBITION OF THE ENZYME THROMBOXANE SYNTHETASE AMERICAN CYANAMID COMPANY (US) 1984-12-18 US disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 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-20110319423-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 CASP3 940/4885CA12 4796/4885CA9 4858/4885
US-20140329831-A1 NOVEL DOPAMINE D3 RECEPTOR LIGANDS AND PREPARATION AND MEDICAL USES OF THE SAME DRD3, DRD2, SLC6A3 CASP3 940/4885CA12 4796/4885CA9 4858/4885

“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.