SCHEMBL3088065

SCHEMBL3088065

CN(C)[C@H]1CCCC[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
TSHR P16473 1/20 0.33
KCNA5 P22460 1/20 0.32
LTA4H P09960 2/20 0.31
HTT P42858 1/20 0.31
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 1/20 0.30
KDR P35968 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3081603 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL20095903 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3083341 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3087522 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL2453564 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL3083346 1.00 SLC18A3 (0.46) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338397 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338392 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL11338394 0.97 SLC18A3 (0.44) SLC18A3CA1CA2CA4TSHR
SCHEMBL23275886 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8551982-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8551982-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
EP-1737868-A1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL ratiopharm GmbH (DE) 2007-01-03 EP disclosed
WO-2005113559-A1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL RATIOPHARM GMBH (DE) 2005-12-01 WO disclosed
EP-1589019-A1 Stereoselective process for the preparation of Clopidogrel Ratiopharm GmbH (DE) 2005-10-26 EP disclosed
EP-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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 (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-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S SLC18A3 4352/4885CA1 4005/4885CA2 4410/4885

“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.