SCHEMBL4524503

SCHEMBL4524503

CC(C)(C)c1ccc(C(=O)N2CCc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NAMPT P43490 2/20 0.48
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MOGAT2 Q3SYC2 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4430495 0.97 NAMPT (0.53) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4519811 0.90 L3MBTL3 (0.48) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4430323 0.88 L3MBTL3 (0.52) ALDH1A1L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4432769 0.87 HDAC6 (0.60) L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4437349 0.87 KDM4E (0.60) ALDH1A1HTTL3MBTL3L3MBTL1NAMPT
SCHEMBL4520495 0.87 L3MBTL3 (0.53) ALDH1A1L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4430632 0.86 L3MBTL3 (0.55) ALDH1A1HTTL3MBTL3L3MBTL1NAMPT
SCHEMBL4529909 0.86 HRH3 (0.62) ALDH1A1L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4437246 0.86 NAMPT (0.61) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4514585 0.86 L3MBTL3 (0.51) ALDH1A1L3MBTL3L3MBTL1NAMPTHRH3

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
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP 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
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
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 153/4885ALDH1A1 3918/4885

“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.