SCHEMBL4016497

SCHEMBL4016497

CC1CN(C(=O)c2oc3cc(OC4CCN(C5CCC5)CC4)ccc3c2-c2ccc(F)cc2)CC(C)O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.42
HRH1 P35367 1/20 0.42
KMT2A Q03164 3/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3649162 1.00 HRH3 (0.42) HRH3HRH1KMT2AKCNH2MEN1
SCHEMBL4019372 0.92 MAPK1 (0.46) HRH3HRH1KMT2AKCNH2MEN1
SCHEMBL3644099 0.92 MAPK1 (0.46) HRH3HRH1KMT2AKCNH2MEN1
SCHEMBL4015462 0.88 HRH3 (0.43) HRH3KMT2ACYP2D6
SCHEMBL4015459 0.88 HRH3 (0.43) HRH3KMT2ACYP2D6
SCHEMBL3809361 0.88 HRH3 (0.46) HRH3HRH1KMT2AKCNH2MEN1
SCHEMBL3647764 0.87 HRH3 (0.45) HRH3HRH1KMT2AKCNH2MEN1
SCHEMBL4017332 0.87 RECQL (0.36) HRH3HRH1KMT2AMEN1CYP2D6
SCHEMBL4017336 0.87 RECQL (0.36) HRH3HRH1KMT2AMEN1CYP2D6
SCHEMBL3645318 0.86 HRH3 (0.45) HRH3HRH1KMT2AKCNH2MEN1

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 4 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 claimed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 US claimed
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 3/4885HRH1 8/4885KMT2A 231/4885

“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.