SCHEMBL735823

SCHEMBL735823

OC1(Cc2ccccc2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
AVPR1A P37288 1/20 0.45
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CYP46A1 Q9Y6A2 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
SCHEMBL2192517 0.98 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL2346342 0.98 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL2192474 0.98 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL4206116 0.95 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL23343753 0.91 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL9133740 0.88 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1MAOA
Hexane SCHEMBL27427100 0.87 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1MAOA
Cyclohexanol SCHEMBL596691 0.86 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL14379186 0.84 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1MAOA
SCHEMBL7802826 0.83 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496890-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2005-01-19 EP claimed
WO-2003051353-A1 SUBSTITUTED BETA-AMINOALCOHOLS USED AS MEDICAMENTS Grünenthal GmbH (DE) 2003-06-26 WO claimed
CN-118339274-A Brandy replica 艾娃食品实验室股份有限公司 2024-07-12 CN disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
EP-3912620-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE (US) 2021-11-24 EP disclosed
EP-3204120-B1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RES INSTITUTE (US) 2021-05-26 EP disclosed
US-20200338036-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE 2020-10-29 US disclosed
US-10751317-B2 Methods and compositions for increasing the potency of antifungal agents PACIFIC NORTHWEST RESEARCH INSTITUTE (US) 2020-08-25 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20170296502-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE 2017-10-19 US disclosed
US-20170296502-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE 2017-10-19 US disclosed
US-20060079553-A1 Quinoline derivatives as glucokinase ligands ASTRAZENECA AB (SE) 2006-04-13 US disclosed
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1583532-A1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS Astrazeneca AB (SE) 2005-10-12 EP disclosed
EP-1578745-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF Astrazeneca AB (SE) 2005-09-28 EP disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2004046139-A1 BENZOFURAN DERIVATES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF ASTRAZENECA AB (SE) 2004-06-03 WO disclosed
WO-2004045614-A1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS ASTRAZENECA AB (SE) 2004-06-03 WO disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 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 (7 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-10751317-B2 Methods and compositions for increasing the potency of antifungal agents ERG28, DPM1, CYP51A1 OPRL1 4874/4885OPRM1 4025/4885OPRD1 4324/4885
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE OPRL1 2177/4885OPRM1 4338/4885OPRD1 1926/4885
US-20200338036-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 OPRL1 4874/4885OPRM1 4025/4885OPRD1 4324/4885
US-20170296502-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 OPRL1 4874/4885OPRM1 4025/4885OPRD1 4324/4885
US-20060058353-A1 Benzofuran derivatives, process for their preparation and intermediates thereof GCK, PDK2, GCKR OPRL1 4559/4885OPRM1 4471/4885OPRD1 4305/4885
US-20060079553-A1 Quinoline derivatives as glucokinase ligands GCK, GCKR, GALK1 OPRL1 3245/4885OPRM1 3464/4885OPRD1 3016/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 OPRL1 2990/4885OPRM1 2267/4885OPRD1 3963/4885

“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.