SCHEMBL4014031

SCHEMBL4014031

O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2s1)N1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.50
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4015107 0.93 HRH3 (0.50) HRH3CYP2D6MEN1KMT2A
SCHEMBL4014870 0.86 HRH3 (0.66) HRH3CYP2D6
SCHEMBL4017750 0.82 HRH3 (0.47) HRH3CYP2D6MEN1KMT2A
SCHEMBL4017753 0.82 HRH3 (0.47) HRH3CYP2D6MEN1KMT2A
SCHEMBL1397963 0.80 HRH3 (0.75) HRH3CYP2D6MEN1KMT2A
SCHEMBL3647741 0.79 HRH3 (0.50) HRH3CYP2D6MEN1KMT2A
SCHEMBL3689685 0.78 HRH3 (0.64) HRH3CYP2D6
SCHEMBL3805249 0.77 HRH3 (0.50) HRH3CYP2D6MEN1KMT2A
SCHEMBL4015903 0.75 HRH3 (0.46) HRH3CYP2D6MEN1KMT2A
SCHEMBL4015897 0.75 HRH3 (0.46) HRH3CYP2D6MEN1KMT2A

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 3/4885CYP2D6 758/4885MEN1 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.