SCHEMBL4429355

SCHEMBL4429355

O=C(c1ccc2c(c1)CCN(C(=O)c1ccccc1F)C2)N1CCN2CCCCC2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PDE4B Q07343 1/20 0.51
CACNA1H O95180 4/20 0.49
NAMPT P43490 3/20 0.46
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4430481 0.92 MEN1 (0.55) MEN1KMT2APDE4BNAMPTL3MBTL3
SCHEMBL4432734 0.92 MEN1 (0.56) MEN1KMT2APDE4BNAMPTL3MBTL1
SCHEMBL4429429 0.90 MEN1 (0.54) MEN1KMT2APDE4BNAMPTL3MBTL3
SCHEMBL4524891 0.89 LMNA (0.54) PDE4BCACNA1HNAMPTL3MBTL3L3MBTL1
SCHEMBL4428044 0.89 ALDH1A1 (0.54) MEN1KMT2APDE4BNAMPTL3MBTL3
SCHEMBL4430623 0.88 ALDH1A1 (0.53) MEN1KMT2APDE4BCACNA1HNAMPT
SCHEMBL4437408 0.88 NAMPT (0.55) MEN1KMT2ACACNA1HNAMPTL3MBTL3
SCHEMBL4438634 0.87 HTT (0.59) CACNA1HNAMPTL3MBTL3L3MBTL1ALDH1A1
SCHEMBL4519434 0.86 PDE4B (0.58) MEN1KMT2APDE4BALDH1A1KDM4E
SCHEMBL4529122 0.84 L3MBTL3 (0.51) NAMPTL3MBTL3L3MBTL1ALDH1A1KDM4E

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 MEN1 1876/4885KMT2A 153/4885PDE4B 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.