SCHEMBL4014063

SCHEMBL4014063

Cc1cc2oc(C(=O)N3CC(C)OC(C)C3)cc2cc1OC1CCN(C2CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7B Q9NP56 1/20 0.35

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
SCHEMBL3644377 1.00 HRH3 (0.40) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4013259 0.86 HRH3 (0.45) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3810834 0.86 HRH3 (0.45) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3643116 0.85 HRH3 (0.40) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4017511 0.85 HRH3 (0.39) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3647017 0.84 HRH3 (0.41) HRH3KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4019402 0.84 HRH3 (0.46) HRH3KMT2AALDH1A1RAB9ACYP2D6
SCHEMBL3647606 0.84 KMT2A (0.46) HRH3KMT2AALDH1A1RAB9ACYP2D6
SCHEMBL4015752 0.84 KMT2A (0.46) HRH3KMT2AALDH1A1RAB9ACYP2D6
SCHEMBL3642303 0.84 HRH3 (0.46) HRH3KMT2AALDH1A1RAB9ACYP2D6

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 231/4885ALDH1A1 180/4885

“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.