SCHEMBL5394251

SCHEMBL5394251

CC(N)CC(Oc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PTPN7 P35236 1/20 0.44
RAB9A P51151 1/20 0.41
AGXT P21549 2/20 0.41
SLC6A4 P31645 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL7049659 0.84 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNH2SLC7A5
SCHEMBL5308268 0.82 PPARG (0.43) PPARGPPARAPTPN7RAB9ASLC6A4
SCHEMBL5533205 0.81 SLC6A9 (0.46) SLC6A4SLC6A2SLC6A3KCNH2SLC7A5
Iodide SCHEMBL5304189 0.81 PPARG (0.42) PPARGPPARAPTPN7RAB9ASLC6A4
SCHEMBL9614092 0.81 PPARG (0.53) PPARGPPARAPTPN7RAB9ASLC6A4
SCHEMBL5530174 0.81 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5869228 0.81 HTR2C (0.42) HTR2CPPARASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5869687 0.81 HTR2C (0.42) HTR2CPPARASLC6A4SLC6A2
SCHEMBL7053972 0.80 SLC6A4 (0.49) SLC6A4SLC7A5
SCHEMBL145925 0.80 PPARG (0.41) PPARGPPARAPTPN7RAB9ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217696-B2 Glycuronamides, glycosides and orthoester glycosides of fluoxetine, analogs and uses thereof A & D BIOSCIENCE, INC. (US) 2007-05-15 US disclosed
CN-1649600-A Glycuronamides, glycosides and orthoester glycosides of fluoxetine and analogs and uses thereof A AND D BIOSCIENCE INC (US) 2005-08-03 CN 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 HTR2A 181/4885HTR2C 304/4885HTR2B 115/4885

“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.