SCHEMBL4428044

SCHEMBL4428044

Cc1ccccc1C(=O)N1CCc2cc(C(=O)N3CCN4CCCCC4C3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.45
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
NAMPT P43490 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HSP90AA1 P07900 1/20 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
SCHEMBL4432765 0.92 ALDH1A1 (0.57) ALDH1A1HPGDHTTCYP3A4CYP2C9
SCHEMBL4429355 0.89 MEN1 (0.51) ALDH1A1HPGDL3MBTL3L3MBTL1NAMPT
SCHEMBL4524891 0.89 LMNA (0.54) ALDH1A1HPGDHTTL3MBTL3L3MBTL1
SCHEMBL4430623 0.88 ALDH1A1 (0.53) ALDH1A1HPGDHTTL3MBTL3L3MBTL1
SCHEMBL4519434 0.88 PDE4B (0.58) ALDH1A1HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL4431810 0.88 L3MBTL3 (0.51) ALDH1A1HPGDTP53L3MBTL3L3MBTL1
SCHEMBL4529122 0.84 L3MBTL3 (0.51) ALDH1A1HTTL3MBTL3L3MBTL1NAMPT
SCHEMBL4530572 0.84 PDE4B (0.52) ALDH1A1L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL14080614 0.84 L3MBTL3 (0.51) L3MBTL3L3MBTL1NAMPTKDM2BMBTD1
SCHEMBL4437408 0.84 NAMPT (0.55) ALDH1A1HPGDHTTL3MBTL3L3MBTL1

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 ALDH1A1 3918/4885HPGD 786/4885HTT 300/4885

“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.