SCHEMBL5368919

SCHEMBL5368919

Fc1ccc2c(-c3ccc(OCCCNCCc4ccccc4)cc3)noc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
DRD2 P14416 7/20 0.45
DRD3 P35462 4/20 0.45
DRD4 P21917 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR1A P08908 6/20 0.42
HTR2A P28223 5/20 0.41
HRH3 Q9Y5N1 5/20 0.41
KCNH2 Q12809 4/20 0.41
HTR2C P28335 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
HTR6 P50406 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL5369905 0.96 DRD2 (0.51) GAADRD2DRD3DRD4KMT2A
SCHEMBL5367700 0.91 DRD4 (0.45) GAADRD2DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL5362477 0.90 BCHE (0.45) GAADRD2DRD4HTR1AHTR2A
SCHEMBL5374861 0.88 DRD4 (0.49) DRD2DRD3DRD4KMT2AHTR1A
SCHEMBL5367366 0.84 ADRB1 (0.52) GAAKMT2AMEN1
SCHEMBL5365815 0.84 ADRB1 (0.52) GAAKMT2AMEN1
SCHEMBL5365805 0.84 ADRB1 (0.52) GAAKMT2AMEN1
SCHEMBL5364737 0.83 SCN8A (0.43) DRD2SLC6A4HTR1AHTR2AHRH3
SCHEMBL5368310 0.82 LMNA (0.40) DRD2DRD3DRD4SLC6A4HTR1A
SCHEMBL5369068 0.81 DRD2 (0.43) DRD2DRD3DRD4HTR1AHTR2A

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 GAA 762/4885DRD2 2/4885DRD3 6/4885

“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.