SCHEMBL4430495

SCHEMBL4430495

CC(C)(C)c1ccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCCCC5)CC4)ccc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL3 Q96JM7 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.47
MOGAT2 Q3SYC2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4524503 0.97 MEN1 (0.52) NAMPTSCN5ASCN2ASCN10AALDH1A1
SCHEMBL4519811 0.91 L3MBTL3 (0.48) NAMPTSCN5ASCN2ASCN10AALDH1A1
SCHEMBL4432752 0.89 NAMPT (0.55) NAMPTALDH1A1HTTL3MBTL3L3MBTL1
SCHEMBL4430632 0.87 L3MBTL3 (0.55) NAMPTALDH1A1HTTL3MBTL3L3MBTL1
SCHEMBL4438476 0.87 KDM4E (0.66) NAMPTALDH1A1HTTL3MBTL3L3MBTL1
SCHEMBL4436428 0.86 HRH3 (0.58) NAMPTSCN5ASCN2ASCN10AALDH1A1
SCHEMBL13895388 0.86 NAMPT (0.55) NAMPTALDH1A1HTTL3MBTL3L3MBTL1
SCHEMBL4431941 0.86 NAMPT (0.66) NAMPTALDH1A1MEN1KMT2AHTT
SCHEMBL4428081 0.86 HDAC6 (0.60) NAMPTALDH1A1HTTL3MBTL3L3MBTL1
SCHEMBL4428076 0.86 KDM4E (0.64) NAMPTALDH1A1HTTL3MBTL3L3MBTL1

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 NAMPT 1309/4885SCN5A 1773/4885SCN2A 1033/4885

“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.