SCHEMBL4429528

SCHEMBL4429528

O=C(c1cccc(Cl)c1)N1CCc2cc(C(=O)N3CCC[C@H]3CN3CCCC3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.52
KCNH2 Q12809 1/20 0.52
PDE4B Q07343 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MET P08581 2/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MGLL Q99685 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM2B Q8NHM5 2/20 0.42

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
SCHEMBL4429526 1.00 HRH3 (0.52) HRH3KCNH2PDE4BALDH1A1MET
SCHEMBL4436313 0.91 HRH3 (0.58) HRH3KCNH2PDE4BALDH1A1MET
SCHEMBL4436317 0.91 HRH3 (0.58) HRH3KCNH2PDE4BALDH1A1MET
SCHEMBL4432719 0.89 SMN1; SMN2 (0.59) HRH3KCNH2ALDH1A1METHPGD
SCHEMBL14080324 0.89 HRH3 (0.52) HRH3KCNH2ALDH1A1METHPGD
SCHEMBL4432721 0.89 SMN1; SMN2 (0.59) HRH3KCNH2ALDH1A1METHPGD
SCHEMBL4426902 0.86 PDE4B (0.55) HRH3KCNH2PDE4BALDH1A1KDM2B
SCHEMBL4430620 0.86 HCRTR1 (0.50) HRH3KCNH2ALDH1A1METHPGD
SCHEMBL4426900 0.86 PDE4B (0.55) HRH3KCNH2PDE4BALDH1A1KDM2B
SCHEMBL4430619 0.86 HCRTR1 (0.50) HRH3KCNH2ALDH1A1METHPGD

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 HRH3 1/4885KCNH2 991/4885PDE4B 3762/4885

“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.