SCHEMBL5364474

SCHEMBL5364474

O[C@H](CNCC1CCCCC1)COc1ccc(-c2noc3cc(F)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
HTR2A P28223 5/20 0.44
DRD2 P14416 4/20 0.44
HTR1A P08908 3/20 0.44
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB1 P08588 3/20 0.38
ADRB3 P13945 1/20 0.38
ADRB2 P07550 2/20 0.38
NPC1 O15118 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5365543 1.00 HPGD (0.48) HPGDHTR2ADRD2HTR1AMEN1
SCHEMBL5375210 0.85 HTR1A (0.43) HTR2ADRD2HTR1AHRH3HTR2C
SCHEMBL5366033 0.84 HTR1A (0.44) HTR2ADRD2HTR1AHRH3HTR2C
SCHEMBL7497587 0.84 HPGD (0.46) HPGDHTR2ADRD2HTR1AMEN1
SCHEMBL7492080 0.84 HPGD (0.46) HPGDHTR2ADRD2HTR1AMEN1
SCHEMBL5371365 0.83 NPC1 (0.57) HTR2ADRD2HTR1AMEN1KMT2A
SCHEMBL5362553 0.83 NPC1 (0.57) HTR2ADRD2HTR1AMEN1KMT2A
SCHEMBL5362559 0.83 NPC1 (0.57) HTR2ADRD2HTR1AMEN1KMT2A
SCHEMBL5365549 0.82 KMT2A (0.47) HTR2ADRD2HTR1AMEN1KMT2A
SCHEMBL5364479 0.82 KMT2A (0.47) HTR2ADRD2HTR1AMEN1KMT2A

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
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-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

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 HPGD 2933/4885HTR2A 30/4885DRD2 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.