SCHEMBL4020498

SCHEMBL4020498

CC1CN(C(=O)c2oc3cc(OC4CCN(C(C)C)CC4)ccc3c2-c2ccccc2)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.44
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL4020493 1.00 HRH3 (0.44) HRH3RECQLKMT2AMAOAMAOB
SCHEMBL4015459 0.92 HRH3 (0.43) HRH3KMT2ACYP2D6
SCHEMBL4015462 0.92 HRH3 (0.43) HRH3KMT2ACYP2D6
SCHEMBL3644099 0.87 MAPK1 (0.46) HRH3RECQLKMT2AMAOAMAOB
SCHEMBL4019372 0.87 MAPK1 (0.46) HRH3RECQLKMT2AMAOAMAOB
SCHEMBL4014763 0.87 RECQL (0.44) HRH3RECQLKMT2A
SCHEMBL4014767 0.87 RECQL (0.44) HRH3RECQLKMT2A
SCHEMBL3641170 0.86 HRH3 (0.55) HRH3CYP2D6
SCHEMBL3643916 0.86 HRH3 (0.47) HRH3MAOAMAOBCYP2D6
SCHEMBL4017719 0.86 HRH3 (0.55) HRH3MAOAMAOBCYP2D6

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 3/4885RECQL 1737/4885KMT2A 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.