SCHEMBL4426902

SCHEMBL4426902

COc1cccc(C(=O)N2CCc3cc(C(=O)N4CCC[C@H]4CN4CCCC4)ccc3C2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.55
HRH3 Q9Y5N1 3/20 0.52
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
KCNH2 Q12809 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 3/20 0.46
KDM2B Q8NHM5 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
PDE4D Q08499 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4426900 1.00 PDE4B (0.55) PDE4BHRH3HCRTR1HCRTR2KCNH2
SCHEMBL4430506 0.92 PDE4B (0.53) PDE4BHRH3KCNH2CA1CA2
SCHEMBL4430500 0.92 PDE4B (0.53) PDE4BHRH3KCNH2CA1CA2
SCHEMBL4436317 0.88 HRH3 (0.58) PDE4BHRH3KCNH2ALDH1A1
SCHEMBL4436313 0.88 HRH3 (0.58) PDE4BHRH3KCNH2ALDH1A1
SCHEMBL4432719 0.86 SMN1; SMN2 (0.59) HRH3KCNH2PRMT5WDR77ALDH1A1
SCHEMBL14080324 0.86 HRH3 (0.52) HRH3KCNH2ALDH1A1
SCHEMBL4432721 0.86 SMN1; SMN2 (0.59) HRH3KCNH2PRMT5WDR77ALDH1A1
SCHEMBL4429528 0.86 HRH3 (0.52) PDE4BHRH3KCNH2KDM2BALDH1A1
SCHEMBL4429526 0.86 HRH3 (0.52) PDE4BHRH3KCNH2KDM2BALDH1A1

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 6 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
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 3762/4885HRH3 1/4885HCRTR1 15/4885

“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.