Sugi Predict

Sugi Predict / Compounds / SCHEMBL5405168

SCHEMBL5405168

SCHEMBL5405168

CC(C)Oc1ccc(OC(CCN)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.66
▸ SLC6A2 P23975 3/20 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 0.59
▸ HRH3 Q9Y5N1 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL144865 0.90 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL1045800 0.88 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7056008 0.87 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL684955 0.87 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5398425 0.83 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7049684 0.83 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7053112 0.83 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5397302 0.83 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5401880 0.83 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrochloric Acid SCHEMBL6527457 0.81 SLC6A4 (0.67) 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 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-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 (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.