SCHEMBL3083346

SCHEMBL3083346

CN(C)C1CCCC[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
SCHEMBL3088065 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
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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
EP-1737868-B1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL RATIOPHARM GMBH (DE) 2008-02-27 EP disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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

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-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C SLC18A3 1497/4885CA1 2697/4885CA2 2848/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R SLC18A3 3976/4885CA1 2960/4885CA2 1628/4885

“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.