SCHEMBL5369068

SCHEMBL5369068

Fc1ccc(CNCCOc2ccc(-c3noc4cc(F)ccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.43
HTR1A P08908 12/20 0.43
HTR2A P28223 12/20 0.43
HRH3 Q9Y5N1 11/20 0.40
DRD3 P35462 6/20 0.40
HTR2C P28335 4/20 0.40
ADRA1A P35348 4/20 0.40
HRH1 P35367 4/20 0.40
HTR6 P50406 4/20 0.40
KCNH2 Q12809 4/20 0.40
DRD4 P21917 4/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL5374861 0.94 DRD4 (0.49) DRD2HTR1AHTR2ADRD3ADRA1A
SCHEMBL5367700 0.91 DRD4 (0.45) DRD2HTR1AHTR2AHRH3KCNH2
SCHEMBL5375180 0.90 CYP1A2 (0.43) DRD2HTR1AHTR2AHRH3DRD3
Hydrochloric Acid SCHEMBL5362477 0.90 BCHE (0.45) DRD2HTR1AHTR2AHRH3KCNH2
SCHEMBL5367332 0.89 DRD2 (0.40) DRD2HTR1AHTR2AHRH3DRD3
SCHEMBL5361320 0.87 CYP1A2 (0.42) DRD2HTR1AHTR2AHRH3DRD3
SCHEMBL5361305 0.85 MCHR1 (0.38) DRD2HTR1AHTR2AHRH3DRD3
Hydrochloric Acid SCHEMBL5360151 0.84 MCHR1 (0.37) DRD2HTR1AHTR2AHRH3DRD3
SCHEMBL5364737 0.83 SCN8A (0.43) DRD2HTR1AHTR2AHRH3HTR2C
SCHEMBL5362559 0.83 NPC1 (0.57) DRD2HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed

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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 DRD2 2/4885HTR1A 25/4885HTR2A 30/4885

“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.