SCHEMBL4015752

SCHEMBL4015752

CC1CN(C(=O)c2cc3ccc(OC4CCN(C5CCC5)CC4)cc3o2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
HRH3 Q9Y5N1 14/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 1/20 0.43
MAOB P27338 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
SCHEMBL3647606 1.00 KMT2A (0.46) KMT2AHRH3MEN1CYP2D6MAOB
SCHEMBL3642303 0.93 HRH3 (0.46) KMT2AHRH3MEN1CYP2D6ALDH1A1
SCHEMBL4019402 0.93 HRH3 (0.46) KMT2AHRH3MEN1CYP2D6ALDH1A1
SCHEMBL4014063 0.84 HRH3 (0.40) KMT2AHRH3MEN1CYP2D6ALDH1A1
SCHEMBL3644377 0.84 HRH3 (0.40) KMT2AHRH3MEN1CYP2D6ALDH1A1
SCHEMBL4016804 0.84 HRH3 (0.48) KMT2AHRH3MEN1CYP2D6MAOB
SCHEMBL4013297 0.83 HRH3 (0.49) KMT2AHRH3MEN1CYP2D6
SCHEMBL3805249 0.83 HRH3 (0.50) KMT2AHRH3MEN1CYP2D6
SCHEMBL4015903 0.80 HRH3 (0.46) KMT2AHRH3MEN1CYP2D6ALDH1A1
SCHEMBL4015897 0.80 HRH3 (0.46) KMT2AHRH3MEN1CYP2D6ALDH1A1

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 KMT2A 231/4885HRH3 3/4885MEN1 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.