SCHEMBL4528655

SCHEMBL4528655

COc1ccc(C(=O)N2CCc3cc(C(=O)N4CCN(C(C)C)CC4)ccc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
PRMT5 O14744 3/20 0.57
WDR77 Q9BQA1 3/20 0.57
HRH3 Q9Y5N1 2/20 0.54
DRD3 P35462 2/20 0.54
PDE4B Q07343 1/20 0.53
PDE4D Q08499 1/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
DRD2 P14416 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4506815 0.87 CA1 (0.55) CA1CA2CA7CA9CA14
SCHEMBL4504733 0.87 HRH3 (0.52) CA1CA2CA7CA9CA14
SCHEMBL4430801 0.87 HRH3 (0.58) PRMT5WDR77HRH3HPGDKMT2A
SCHEMBL4432922 0.86 CHRNA7 (0.64) CA1CA2CA7CA9CA14
SCHEMBL4505535 0.85 HRH3 (0.54) PRMT5HRH3MAPK1
SCHEMBL5523403 0.84 CA1 (0.80) CA1CA2CA7CA9CA14
SCHEMBL13503751 0.84 DRD3 (0.71) CA1CA2CA7CA9CA14
SCHEMBL23329441 0.83 CA1 (0.67) CA1CA2CA7CA9CA14
SCHEMBL29373515 0.83 CA1 (0.67) CA1CA2CA7CA9CA14
SCHEMBL4431956 0.83 HRH3 (0.52) CA1CA2CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO 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-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 CA1 2161/4885CA2 2842/4885CA7 4609/4885

“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.