SCHEMBL4243156

SCHEMBL4243156

COc1ccc2c(c1OC)C(O)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NQO2 P16083 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
DRD2 P14416 8/20 0.39
DRD1 P21728 6/20 0.39
KCNH2 Q12809 1/20 0.38
F3 P13726 3/20 0.37
ADRA1A P35348 1/20 0.37
CYP3A4 P08684 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 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
SCHEMBL8646170 0.79 ACHE (0.60) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL16624111 0.78 HTR2C (0.39) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL4251083 0.78 ACHE (0.46) ACHENQO2MTNR1AMTNR1BKDM4E
SCHEMBL19236330 0.77 DRD3 (0.32) ACHEDRD2ADRA1ADRD3
SCHEMBL18034949 0.77 ALDH1A1 (0.41) ACHENQO2MTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL17965629 0.77 HTR2C (0.38) ACHENQO2MTNR1AMTNR1BALDH1A1
SCHEMBL22837453 0.77 HTR2A (0.47) MTNR1AMTNR1BDRD2DRD3
SCHEMBL7542801 0.77 HTR2A (0.47) MTNR1AMTNR1BDRD2DRD3
Arsenic SCHEMBL5712628 0.76 ACHE (0.45) ACHENQO2MTNR1AMTNR1BKDM4E
Ammonia Solution, Strong SCHEMBL5712534 0.76 ACHE (0.45) ACHENQO2MTNR1AMTNR1BKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 US 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 ACHE 2167/4885NQO2 1600/4885MTNR1A 60/4885

“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.