SCHEMBL4180702

SCHEMBL4180702

COc1cccc(C2(O)CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
OPRD1 P41143 2/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 1/20 0.59
ALDH1A1 P00352 3/20 0.57
BCHE P06276 1/20 0.53
SLC6A4 P31645 6/20 0.52
SLC6A2 P23975 5/20 0.52
SLC22A1 O15245 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A3 Q01959 1/20 0.49
KDM1A O60341 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL30567205 1.00 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL4464330 0.98 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6831189 0.98 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1660644 0.95 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL31557718 0.91 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL737743 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL21873952 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL613629 0.82 ALDH1A1 (0.56) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL10389866 0.82 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6663444 0.82 ALDH1A1 (0.60) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017066742-A1 BACE-2 INHIBITORY COMPOUNDS AND RELATED METHODS OF USE JORTAN PHARMACEUTICALS INC. (US) 2017-04-20 WO disclosed
CN-101674728-A Reducing side effects of tramadol DMI BIOSCIENCES INC 2010-03-17 CN disclosed
CN-101657101-A Treatment of comorbid premature ejaculation and erectile dysfunction DMI BIOSCIENCES INC US 2010-02-24 CN disclosed
CN-101508691-A Sulphaminic acid benzothiophene ester derivative used as steroid sulfatase restrainer THERAMEX SAM LAB (MC) 2009-08-19 CN disclosed
CN-100491370-C Benzothiophenesulfonate derivatives as steroid sulfatase inhibitors THERAMEX (MC) 2009-05-27 CN disclosed
WO-2009018169-A1 SUBSTITUTED CYCLOHEXANOLS AUSPEX PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2008151156-A1 PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2008-12-11 WO disclosed
CN-101175482-A Abuse-proofed dosage form GRUENENTHAL GMBH (DE) 2008-05-07 CN disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1771243-A Benzothiophenesulfonate derivatives as steroid sulfatase inhibitors THERAMEX (MC) 2006-05-10 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
US-6780891-B2 MODULATE OPIATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS SEPRACOR INC. 2004-08-24 US disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-20030171440-A1 Tramadol analogs and uses thereof SEPRACOR INC. 2003-09-11 US disclosed
WO-2003048113-A1 TRAMADOL ANALOGS AND USES THEREOF SEPRACOR INC. (US) 2003-06-12 WO disclosed
US-5384078-A Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-01-24 US disclosed
US-5211889-A Organocalcium cuprate complexes formed by reduction BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
WO-1993003044-A1 REACTIVE FORM OF CALCIUM AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO 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-20030171440-A1 Tramadol analogs and uses thereof OPRD1, OPRK1, OPRM1 OPRM1 3/4885OPRD1 1/4885OPRK1 2/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 OPRM1 190/4885OPRD1 431/4885OPRK1 318/4885

“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.