SCHEMBL5364487

SCHEMBL5364487

CN(CC(O)COc1ccc(-c2noc3cc(F)ccc23)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR2A P28223 5/20 0.44
DRD2 P14416 4/20 0.44
HTR1A P08908 3/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ADRB3 P13945 1/20 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
HRH3 Q9Y5N1 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
SCHEMBL5365549 1.00 KMT2A (0.47) KMT2AMAPTNPSR1HTR2ADRD2
SCHEMBL5364479 1.00 KMT2A (0.47) KMT2AMAPTNPSR1HTR2ADRD2
SCHEMBL7492086 0.85 KMT2A (0.46) KMT2AMAPTNPSR1HTR2ADRD2
SCHEMBL7492083 0.85 KMT2A (0.46) KMT2AMAPTNPSR1HTR2ADRD2
SCHEMBL7497593 0.85 KMT2A (0.46) KMT2AMAPTNPSR1HTR2ADRD2
SCHEMBL5375211 0.84 LSS (0.44) HTR2ADRD2HTR1AHTR2CADRA1A
SCHEMBL5366035 0.83 LSS (0.45) HTR2ADRD2HTR1AHTR2CADRA1A
SCHEMBL5369845 0.83 MAPT (0.44) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5369857 0.83 MAPT (0.44) MAPTHTR2ADRD2HTR1AMAPK1
SCHEMBL5364474 0.82 HPGD (0.48) KMT2AHTR2ADRD2HTR1AMEN1

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 KMT2A 2351/4885MAPT 347/4885NPSR1 188/4885

“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.