SCHEMBL3765550

SCHEMBL3765550

Cc1cc2c(C(C)C)c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)oc2cc1OC1CCN(C2CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.42
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4015142 1.00 HRH3 (0.42) HRH3RECQLKMT2AALDH1A1KDM4E
SCHEMBL3646552 0.91 HRH3 (0.38) HRH3RECQLKMT2AALDH1A1KDM4E
SCHEMBL4014071 0.91 HRH3 (0.38) HRH3RECQLKMT2AALDH1A1KDM4E
SCHEMBL3646487 0.89 HRH3 (0.44) HRH3RECQLKMT2AALDH1A1NPSR1
SCHEMBL3646490 0.89 HRH3 (0.44) HRH3RECQLKMT2AALDH1A1NPSR1
SCHEMBL3644280 0.86 HRH3 (0.40) HRH3KMT2A
SCHEMBL3647502 0.86 HRH3 (0.42) HRH3KMT2AALDH1A1HPGD
SCHEMBL4018966 0.86 HRH3 (0.40) HRH3KMT2A
SCHEMBL3646804 0.82 RECQL (0.47) HRH3RECQLKMT2AALDH1A1KDM4E
SCHEMBL4016670 0.82 RECQL (0.47) HRH3RECQLKMT2AALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183237-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
WO-2009013195-A1 BENZOFURAN- AND BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AND USE THEREOF AS HISTAMINE 3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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.