SCHEMBL7542801

SCHEMBL7542801

COc1cccc2c1C(O)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
DRD2 P14416 5/20 0.45
DRD3 P35462 3/20 0.45
HTR1A P08908 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
DRD4 P21917 2/20 0.43
AADAT Q8N5Z0 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLL Q9UGP5 1/20 0.42

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
SCHEMBL22837453 1.00 HTR2A (0.47) HTR2ADRD2DRD3HTR1ACHRM2
SCHEMBL17014302 0.83 HTR1A (0.50) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL3586039 0.81 MTNR1B (0.57) MTNR1AMTNR1B
SCHEMBL10321230 0.80 DRD2 (0.46) HTR2ADRD2DRD3HTR1AAADAT
SCHEMBL10321232 0.80 DRD2 (0.46) HTR2ADRD2DRD3HTR1AAADAT
SCHEMBL7543923 0.80 HTR2A (0.47) HTR2ADRD2DRD3HTR1ACHRM2
SCHEMBL17965649 0.79 HTR2A (0.40) HTR2ADRD2DRD3HTR1APOLL
SCHEMBL22837450 0.78 CETP (0.46) HTR2ADRD2DRD3HTR1A
SCHEMBL13352195 0.78 CYP1A2 (0.47) DRD2DRD3HTR1ACHRM2
SCHEMBL18034965 0.78 SLC6A2 (0.43) HTR2ADRD2DRD3HTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
EP-0940386-B1 Benzocyclobutan compounds, their process for preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-05-22 EP disclosed
US-6107345-A ANTIDEPRESSANT; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 2000-08-22 US disclosed
EP-0940386-A1 Benzocyclobutan compounds, their process for preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-09-08 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-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G HTR2A 3843/4885DRD2 4611/4885DRD3 4623/4885

“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.