SCHEMBL5313499

SCHEMBL5313499

CCCc1cccc(OC(CCN)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNK2 O95069 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
SLC7A5 Q01650 4/20 0.45
ACHE P22303 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
KIF11 P52732 1/20 0.41
NOS2 P35228 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
Decanoic Acid SCHEMBL144254 0.88 PPARA (0.51) ACHEPPARGPPARA
SCHEMBL15823267 0.86 CYP4F2 (0.51) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrochloric Acid SCHEMBL15823735 0.85 CYP4F2 (0.50) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7053659 0.84 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14528299 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7051306 0.80 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL1045800 0.79 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415671 0.77 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5161046 0.77 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7050753 0.77 SLC6A4 (0.68) 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 7 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-7217696-B2 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof A & D BIOSCIENCE, INC. (US) 2007-05-15 US disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO 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 (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-20050130908-A1 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof PYGB, GBA3, GAA SLC6A4 121/4885SLC6A2 130/4885SLC6A3 180/4885

“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.