SCHEMBL5365487

SCHEMBL5365487

N#CC1(c2ccccc2)CCN(CC(O)COc2ccc(-c3noc4cc(F)ccc34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
DRD2 P14416 2/20 0.47
HTR1A P08908 2/20 0.47
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNA7 P36544 1/20 0.39
ADRB3 P13945 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCB1 P08183 2/20 0.39

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
SCHEMBL5366314 1.00 HTR2A (0.47) HTR2ADRD2HTR1APKMALDH1A1
SCHEMBL5365483 1.00 HTR2A (0.47) HTR2ADRD2HTR1APKMALDH1A1
SCHEMBL5374878 0.89 HTR2A (0.49) HTR2ADRD2HTR1APKMALDH1A1
SCHEMBL5366093 0.89 HTR2A (0.49) HTR2ADRD2HTR1APKMALDH1A1
SCHEMBL5366098 0.89 HTR2A (0.49) HTR2ADRD2HTR1APKMALDH1A1
SCHEMBL1380255 0.83 MAPT (0.55) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5371159 0.83 MAPT (0.55) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL1380261 0.83 MAPT (0.55) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5363235 0.83 HTR1A (0.53) HTR2ADRD2HTR1AALDH1A1KDM4E
SCHEMBL5370498 0.83 HTR1A (0.53) HTR2ADRD2HTR1AALDH1A1KDM4E

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 HTR2A 30/4885DRD2 2/4885HTR1A 25/4885

“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.