SCHEMBL5397001

SCHEMBL5397001

CCc1ccccc1OC(CCN)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.59
SLC6A4 P31645 9/20 0.48
CYP2D6 P10635 8/20 0.48
NOS2 P35228 6/20 0.48
SLC6A3 Q01959 5/20 0.48
KCNH2 Q12809 3/20 0.48
KCNK2 O95069 1/20 0.48
CACNA1C Q13936 1/20 0.48
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
HRH1 P35367 3/20 0.46
KMT2A Q03164 2/20 0.46
CHRM1 P11229 2/20 0.46
ADRA2B P18089 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
OPRK1 P41145 2/20 0.46

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
Phosphoric Acid SCHEMBL142835 0.93 SLC6A2 (0.53) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL14528183 0.82 SLC6A4 (0.69) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL7169436 0.82 SLC6A4 (0.52) SLC6A2SLC6A4CYP2D6SLC6A3KCNH2
SCHEMBL2212613 0.81 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL5397302 0.81 SLC6A2 (0.58) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL4624371 0.81 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL5306302 0.81 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
SCHEMBL2633864 0.81 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
Hydrochloric Acid SCHEMBL7306045 0.79 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3
Hydrochloric Acid SCHEMBL3269598 0.79 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6NOS2SLC6A3

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 SLC6A2 130/4885SLC6A4 121/4885CYP2D6 395/4885

“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.