SCHEMBL4439281

SCHEMBL4439281

COc1ccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.58
PDE4D Q08499 3/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
HRH3 Q9Y5N1 2/20 0.54
PKM P14618 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRMT5 O14744 3/20 0.50
WDR77 Q9BQA1 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4430323 0.88 L3MBTL3 (0.52) HRH3KDM2BKDM4EL3MBTL3L3MBTL1
SCHEMBL4509813 0.88 PDE4B (0.62) PDE4BPDE4DCA1CA2CA7
SCHEMBL4520495 0.87 L3MBTL3 (0.53) PDE4BPDE4DCA1CA2CA7
SCHEMBL4437349 0.87 KDM4E (0.60) HRH3KDM4EL3MBTL3L3MBTL1
SCHEMBL4430632 0.86 L3MBTL3 (0.55) PDE4BPDE4DHRH3KDM2BKDM4E
SCHEMBL4437246 0.86 NAMPT (0.61) HRH3KDM4EHPGDL3MBTL3L3MBTL1
SCHEMBL4529909 0.86 HRH3 (0.62) PDE4BPDE4DHRH3KDM2BKDM4E
SCHEMBL4514585 0.86 L3MBTL3 (0.51) HRH3KDM2BKDM4EL3MBTL3L3MBTL1
SCHEMBL4519873 0.85 PRMT5 (0.50) HRH3KDM4EPRMT5WDR77HPGD
SCHEMBL4524503 0.85 MEN1 (0.52) HRH3KDM4EHPGDL3MBTL3L3MBTL1

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 PDE4B 3762/4885PDE4D 3846/4885CA1 2161/4885

“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.