SCHEMBL4430623

SCHEMBL4430623

O=C(c1ccccc1)N1CCc2cc(C(=O)N3CCN4CCCCC4C3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 7/20 0.52
L3MBTL3 Q96JM7 6/20 0.52
NAMPT P43490 2/20 0.51
PDE4B Q07343 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47
CACNA1H O95180 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
SCHEMBL4529122 0.92 L3MBTL3 (0.51) ALDH1A1KDM4EPOLBL3MBTL1L3MBTL3
SCHEMBL4428076 0.91 KDM4E (0.64) ALDH1A1KDM4EPOLBL3MBTL1L3MBTL3
SCHEMBL4431810 0.91 L3MBTL3 (0.51) ALDH1A1L3MBTL1L3MBTL3NAMPTPDE4B
SCHEMBL4437408 0.91 NAMPT (0.55) ALDH1A1KDM4EPOLBL3MBTL1L3MBTL3
SCHEMBL4530572 0.91 PDE4B (0.52) ALDH1A1KDM4EL3MBTL1L3MBTL3NAMPT
SCHEMBL14080614 0.91 L3MBTL3 (0.51) L3MBTL1L3MBTL3NAMPTHDAC6
SCHEMBL4438476 0.90 KDM4E (0.66) ALDH1A1KDM4EPOLBL3MBTL1L3MBTL3
SCHEMBL4438634 0.90 HTT (0.59) ALDH1A1KDM4EPOLBL3MBTL1L3MBTL3
SCHEMBL4437330 0.90 L3MBTL1 (0.59) ALDH1A1KDM4EL3MBTL1L3MBTL3NAMPT
SCHEMBL14080700 0.90 ENPP2 (0.47) ALDH1A1KDM4EL3MBTL1L3MBTL3NAMPT

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 3918/4885KDM4E 1117/4885POLB 4596/4885

“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.