SCHEMBL1115865

SCHEMBL1115865

OC=CCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ CYSLTR1 Q9Y271 4/20 0.46
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ GPBAR1 Q8TDU6 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL6535913 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL5510083 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL5093242 0.81 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8754671 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL8754663 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL456812 0.81 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL6525088 0.80 CYSLTR1 (0.52) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL17500352 0.80 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL17227498 0.79 CYSLTR1 (0.50) CYP1A2CYSLTR1CYSLTR2GPBAR1NPC1
SCHEMBL1415221 0.77 CYSLTR1 (0.42) CYP1A2CYSLTR1CYSLTR2GPBAR1PDE10A

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
WO-2007126865-A2 LEUKOTRIENE ANTAGONISTS VIA NASAL DRUG DELIVERY PATRIN PHARMA (US) 2007-11-08 — — WO claimed
EP-1954679-B1 A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS SYNTHON BV (NL) 2011-02-02 — — EP disclosed
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
US-7786138-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2010-08-31 — — US disclosed
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2010-04-22 — — US disclosed
EP-1740545-B1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2010-03-24 — — EP disclosed
US-7601741-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-10-13 — — US disclosed
US-20090093636-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2009-04-09 — — US disclosed
US-7476748-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-01-13 — — US disclosed
EP-1960362-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2008-08-27 — — EP disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
US-5262429-A CARDIOTONIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 — — US disclosed
WO-1993021159-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 — — WO disclosed
EP-0565185-A1 Quinoline derivatives as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1993-10-13 — — EP disclosed
US-5225558-A Cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US disclosed
CN-1061594-A Hydroxyalkyl quinoline ether acid as leukotriene antagonists MERCK FROSST CANADA INT (CA) 1992-06-03 — — CN disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — 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-20090093636-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CYP4A11, CYP51A1, CYP4F11 CYP1A2 467/4885CYSLTR1 9/4885CYSLTR2 19/4885
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CMA1, CYP51A1, NOTUM CYP1A2 580/4885CYSLTR1 5/4885CYSLTR2 11/4885

“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.

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