SCHEMBL4807696

SCHEMBL4807696

Clc1ccc2c(c1)COc1ccccc1N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
ALOX5 P09917 1/20 0.41
HTR2B P41595 3/20 0.41
HTR5A P47898 3/20 0.41
DRD4 P21917 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR1D P28221 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
HTR3A P46098 2/20 0.41
CHEK1 O14757 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
NOX1 Q9Y5S8 1/20 0.39
KMT2A Q03164 2/20 0.37
PGR P06401 1/20 0.37
AR P10275 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
SCHEMBL14279325 0.89 AHR (0.41) AHRALOX5HTR2BHTR5ADRD4
SCHEMBL29485911 0.87 CMA1 (0.44) AHRALOX5HTR2BHTR5AHTR3A
SCHEMBL4811917 0.87 CMA1 (0.44) AHRALOX5HTR2BHTR5AHTR3A
SCHEMBL4809585 0.85 BCHE (0.44) AHRCHEK1BCHEACHENOX1
SCHEMBL2008333 0.82 ALOX5 (0.54) AHRALOX5HTR5AKMT2AMAPT
SCHEMBL4809130 0.81 NOX1 (0.42) ALOX5HTR2BHTR5ANOX1KMT2A
SCHEMBL14698807 0.78 MAPT (0.53) AHRHTR2BHTR5ADRD4ADRA2A
SCHEMBL11538675 0.78 AHR (0.59) AHRHTR2BHTR5ADRD4ADRA2A
SCHEMBL6971831 0.77 BCHE (0.49) ALOX5CHEK1BCHEACHENOX1
SCHEMBL3068531 0.75 AHR (0.56) AHRHTR2BHTR5ADRD4ADRA2A

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-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 AHR 237/4885ALOX5 764/4885HTR2B 61/4885

“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.