SCHEMBL1073591

SCHEMBL1073591

CCCCCC12CCCCC1CNCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CCR2 P41597 1/20 0.31

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
SCHEMBL11569817 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2
SCHEMBL1073590 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CCR2
SCHEMBL11287172 0.95 GAA (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL11576962 0.89 GAA (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL11577452 0.89 GAA (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL11784129 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL11791349 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL8861264 0.81 CYP1A2 (0.39)
SCHEMBL21462929 0.81 CYP1A2 (0.39)
SCHEMBL22996132 0.80 GAA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787721-B1 4a-ARYLDECAHYDROISOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF TORAY INDUSTRIES (JP) 1999-04-28 EP claimed
US-5776945-A CARDIOVASCULAR, CEREBRAL CYTOPROTECTIVE TORAY INDUSTRIES, INC. (JP) 1998-07-07 US claimed
EP-0787721-A1 4a-ARYLDECAHYDROISOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF TORAY INDUSTRIES, INC. (JP) 1997-08-06 EP claimed
US-4435572-A FROM 3-METHOXYBENZALDEHYDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-03-06 US claimed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US claimed
JP-56071076-A None JP disclosed
JP-8208618-A None JP disclosed
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 US disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 EP disclosed
US-8048895-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2011-11-01 US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 US disclosed
US-20090264462-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2009-10-22 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US disclosed
US-4189583-A FROM 1-METHYL-2-OXO-3-METHYLENE-4-(3'-METHOXYPHENYL)-4 -(CARBOXYMETHYLENE)PIPERIDINE BY CYCLIZATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-02-19 US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed
US-4141893-A Decahydrocyclopent[c]azepines ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed
US-4077954-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-07 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 (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-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 SLC6A2 522/4885SLC6A4 667/4885SLC6A3 191/4885
US-20090264462-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 SLC6A2 522/4885SLC6A4 667/4885SLC6A3 191/4885

“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.