SCHEMBL4019402

SCHEMBL4019402

CC1CN(C(=O)c2cc3cc(OC4CCN(C5CCC5)CC4)ccc3o2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.44
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3642303 1.00 HRH3 (0.46) HRH3KMT2AMEN1CYP2D6ALDH1A1
SCHEMBL3647606 0.93 KMT2A (0.46) HRH3KMT2AMEN1CYP2D6ALDH1A1
SCHEMBL4015752 0.93 KMT2A (0.46) HRH3KMT2AMEN1CYP2D6ALDH1A1
SCHEMBL4013297 0.91 HRH3 (0.49) HRH3KMT2AMEN1CYP2D6
SCHEMBL3646987 0.86 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3646985 0.86 HRH3 (0.54) HRH3CYP2D6
SCHEMBL3645496 0.85 HRH3 (0.47) HRH3KMT2AMEN1CYP2D6
SCHEMBL4014063 0.84 HRH3 (0.40) HRH3KMT2AMEN1CYP2D6ALDH1A1
SCHEMBL3644377 0.84 HRH3 (0.40) HRH3KMT2AMEN1CYP2D6ALDH1A1
SCHEMBL4015054 0.84 HRH3 (0.48) HRH3KMT2AMEN1CYP2D6ALDH1A1

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 3/4885KMT2A 231/4885MEN1 3929/4885

“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.