SCHEMBL684955

SCHEMBL684955

Cc1ccc(OC(CCN)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.66
SLC6A2 P23975 2/20 0.66
SLC6A3 Q01959 2/20 0.66
KCNK2 O95069 1/20 0.66
KCNH2 Q12809 1/20 0.66
CACNA1C Q13936 1/20 0.66
SLC7A5 Q01650 7/20 0.56
SLC6A9 P48067 3/20 0.53
HTR1A P08908 1/20 0.50

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
Oxalic Acid SCHEMBL7310720 0.93 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Sulfuric Acid SCHEMBL143603 0.91 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280857 0.89 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17278094 0.89 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280858 0.89 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280831 0.88 SLC7A5 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL1045800 0.88 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5405168 0.87 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7056008 0.87 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13042191 0.85 SLC6A9 (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP claimed
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS WILMINGTON SAVINGS FUND SOCIETY, FSB 2017-01-12 US disclosed
US-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-05-21 US disclosed
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP disclosed
US-7217696-B2 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof A & D BIOSCIENCE, INC. (US) 2007-05-15 US disclosed
US-20050130908-A1 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof HOLICK MICHAEL F (US) 2005-06-16 US disclosed
EP-1487460-A2 GLYCURONAMIDES, GLYCOSIDES AND ORTHOESTER GLYCOSIDES OF FLUOXETINE, ANALOGS AND USES THEREOF A & D Bioscience, Inc. (US) 2004-12-22 EP disclosed
WO-2003073988-A2 GLYCURONAMIDES, GLYCOSIDES AND ORTHOESTER GLYCOSIDES OF FLUOXETINE, ANALOGS AND USES THEREOF A & D BIOSCIENCE, INC. (US) 2003-09-12 WO disclosed
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 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 (4 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-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A2 1596/4885SLC6A3 702/4885
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A2 1596/4885SLC6A3 702/4885
US-20050130908-A1 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof PYGB, GBA3, GAA SLC6A4 121/4885SLC6A2 130/4885SLC6A3 180/4885
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A2 1596/4885SLC6A3 702/4885

“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.