SCHEMBL5361305

SCHEMBL5361305

Fc1ccc2c(-c3ccc(OCCCNCc4ccsc4)cc3)noc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
HTR1A P08908 13/20 0.38
DRD2 P14416 13/20 0.38
HTR2A P28223 13/20 0.38
HRH3 Q9Y5N1 11/20 0.38
KCNH2 Q12809 6/20 0.38
HTR2C P28335 5/20 0.38
ADRA1A P35348 5/20 0.38
HRH1 P35367 5/20 0.38
HTR6 P50406 5/20 0.38
DRD3 P35462 4/20 0.38
LSS P48449 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35

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
Hydrochloric Acid SCHEMBL5360151 0.99 MCHR1 (0.37) MCHR1HTR1ADRD2HTR2AHRH3
SCHEMBL5367700 0.86 DRD4 (0.45) HTR1ADRD2HTR2AHRH3KCNH2
Hydrochloric Acid SCHEMBL5362477 0.85 BCHE (0.45) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5369068 0.85 DRD2 (0.43) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5367332 0.85 DRD2 (0.40) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5367827 0.84 NPC1 (0.45) HTR1ADRD2HTR2A
SCHEMBL5361286 0.84 NPC1 (0.45) HTR1ADRD2HTR2A
SCHEMBL5361292 0.84 NPC1 (0.45) HTR1ADRD2HTR2A
SCHEMBL5374861 0.83 DRD4 (0.49) HTR1ADRD2HTR2AADRA1ADRD3
SCHEMBL5361320 0.83 CYP1A2 (0.42) HTR1ADRD2HTR2AHRH3KCNH2

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 10 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
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP disclosed
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 MCHR1 990/4885HTR1A 25/4885DRD2 2/4885

“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.