SCHEMBL6440267

SCHEMBL6440267

COc1cc(C(C)=O)ccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
ACHE P22303 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
SLC6A4 P31645 1/20 0.62
CCKBR P32239 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62

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
SCHEMBL30627531 1.00 ABCB11 (0.62) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10459641 0.97 ABCB11 (0.59) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL7331615 0.96 HRH1 (0.59) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10556510 0.96 ABCB11 (0.58) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10460874 0.96 ABCB11 (0.58) ABCB11CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL10460868 0.95 ABCB11 (0.57) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10460722 0.95 KDM4E (0.58) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10459194 0.95 ABCB11 (0.58) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL10461477 0.92 PAX8 (0.54) ABCB11CHRM2HTR1AADRA2ACHRM1
SCHEMBL7435992 0.92 HRH1 (0.54) ABCB11CHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913062-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR RETINOPATHY OF PREMATURITY AND METHOD OF TESTING FOR RETINOPATHY OF PREMATURITY JAPAN INNOVATIVE THERAPEUTICS INC (JP) 2019-05-08 EP claimed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US claimed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP claimed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US disclosed
US-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE 2023-11-02 US disclosed
WO-2021225767-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-11 WO disclosed
US-10330670-B2 Therapeutic or prophylactic agent for retinopathy of prematurity, testing method for retinopathy of prematurity, and screening method for therapeutic or prophylactic substance for retinopathy of prematurity NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2019-06-25 US disclosed
EP-2913062-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR RETINOPATHY OF PREMATURITY AND METHOD OF TESTING FOR RETINOPATHY OF PREMATURITY JAPAN INNOVATIVE THERAPEUTICS INC (JP) 2019-05-08 EP disclosed
US-20150276718-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR RETINOPATHY OF PREMATURITY, TESTING METHOD FOR RETINOPATHY OF PREMATURITY, AND SCREENING METHOD FOR THERAPEUTIC OR PROPHYLACTIC SUBSTANCE FOR RETINOPATHY OF PREMATURITY JAPAN INNOVATIVE THERAPEUTICS, INC. (JP) 2015-10-01 US disclosed
EP-2913062-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR RETINOPATHY OF PREMATURITY, METHOD OF TESTING FOR RETINOPATHY OF PREMATURITY, AND SCREENING METHOD FOR THERAPEUTIC OR PROPHYLACTIC SUBSTANCE FOR RETINOPATHY OF PREMATURITY Japan Innovative Therapeutics, Inc. (JP) 2015-09-02 EP disclosed
EP-1517706-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA Pharma AG (DE) 2005-03-30 EP disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
WO-2003094968-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
US-5070087-A Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1991-12-03 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 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 (1 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-20230346820-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF SARS-COV-2 ACE2, SARS1, ACE ABCB11 2194/4885CHRM2 2010/4885HTR1A 2774/4885

“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.