SCHEMBL4016947

SCHEMBL4016947

CC(C)c1c(C(=O)N2CCS(=O)(=O)CC2)oc2cc(OC3CCN(C(C)C)CC3)c(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.47

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
SCHEMBL4020812 0.91 HRH3 (0.47) HRH3
SCHEMBL3689948 0.90 HRH3 (0.47) HRH3
SCHEMBL3808822 0.89 HRH3 (0.40) HRH3
SCHEMBL4015725 0.89 HRH3 (0.38) HRH3
SCHEMBL3643972 0.88 HRH3 (0.39) HRH3
SCHEMBL3645172 0.88 HRH3 (0.47) HRH3
SCHEMBL4014044 0.86 RECQL (0.39) HRH3
SCHEMBL3640591 0.86 RECQL (0.39) HRH3
SCHEMBL4017237 0.85 HRH3 (0.44) HRH3
SCHEMBL4016557 0.82 HRH3 (0.50) HRH3

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-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HRH3 3/4885

“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.