SCHEMBL3640267

SCHEMBL3640267

Cc1c(C(=O)N2CCC(F)(F)CC2)oc2cc(OC3CCN(C(C)C)CC3)c(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.47
CYP2D6 P10635 1/20 0.46
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3645172 0.91 HRH3 (0.47) HRH3CYP2D6
SCHEMBL3814095 0.89 MEN1 (0.40) HRH3NPC1RAB9AALDH1A1LMNA
SCHEMBL3649081 0.88 HRH3 (0.39) HRH3NPC1RAB9AALDH1A1LMNA
SCHEMBL3646019 0.88 RAB9A (0.42) HRH3CYP2D6NPC1RAB9AALDH1A1
SCHEMBL4020812 0.88 HRH3 (0.47) HRH3NPC1RAB9AALDH1A1LMNA
SCHEMBL3647355 0.87 HRH3 (0.45) HRH3CYP2D6
SCHEMBL3646727 0.86 HRH3 (0.45) HRH3CYP2D6
SCHEMBL4015150 0.86 RECQL (0.48) HRH3NPC1RAB9AALDH1A1LMNA
SCHEMBL3644474 0.86 RECQL (0.48) HRH3NPC1RAB9AALDH1A1LMNA
SCHEMBL3639284 0.85 HRH3 (0.42) HRH3ALDH1A1MEN1HPGDKMT2A

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 3/4885CYP2D6 758/4885NPC1 2383/4885

“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.