SCHEMBL5403775

SCHEMBL5403775

NCCC(Oc1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.54
SLC6A2 P23975 8/20 0.54
NOS2 P35228 6/20 0.54
CYP2D6 P10635 4/20 0.54
SLC6A3 Q01959 3/20 0.50
SLC7A5 Q01650 1/20 0.50
KCNK2 O95069 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL7052799 0.87 SLC6A2 (0.56) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL14607925 0.84 SLC7A5 (0.51) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL8496227 0.84 SLC7A5 (0.51) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL14607958 0.84 SLC7A5 (0.51) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL6721958 0.83 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL7053107 0.83 SLC6A4 (0.77) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL5431801 0.82 SLC6A4 (0.46) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
Oxalic Acid SCHEMBL7317717 0.81 SLC6A2 (0.60) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL11236293 0.80 NOS2 (0.54) SLC6A4SLC6A2NOS2CYP2D6SLC6A3
SCHEMBL7053112 0.80 SLC6A4 (0.70) SLC6A4SLC6A2CYP2D6SLC6A3SLC7A5

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 6 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-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 US 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
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

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 130/4885NOS2 924/4885

“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.