SCHEMBL4430346

SCHEMBL4430346

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc(Cl)cc1)C2)N1CCCN(C2CCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
KCNH2 Q12809 2/20 0.54
L3MBTL3 Q96JM7 5/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 2/20 0.48
KDM2B Q8NHM5 1/20 0.47

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
SCHEMBL4529909 0.97 HRH3 (0.62) HRH3KCNH2L3MBTL3L3MBTL1PDE4B
SCHEMBL4521976 0.95 HRH3 (0.59) HRH3L3MBTL3L3MBTL1PDE4BPDE4D
SCHEMBL4436428 0.94 HRH3 (0.58) HRH3L3MBTL3L3MBTL1PDE4BPDE4D
SCHEMBL4431774 0.91 L3MBTL1 (0.62) HRH3KCNH2L3MBTL3L3MBTL1PDE4B
SCHEMBL4431707 0.91 KDM4E (0.57) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4505539 0.90 HRH3 (0.49) HRH3KCNH2L3MBTL3L3MBTL1PDE4B
SCHEMBL4431946 0.90 HRH3 (0.51) HRH3KCNH2L3MBTL3L3MBTL1SLC6A4
SCHEMBL4432907 0.90 NAMPT (0.58) HRH3KCNH2L3MBTL3L3MBTL1SLC6A4
SCHEMBL4530572 0.89 PDE4B (0.52) HRH3L3MBTL3L3MBTL1PDE4BPDE4D
SCHEMBL4437242 0.88 KDM4E (0.66) HRH3KCNH2L3MBTL3L3MBTL1PDE4B

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 HRH3 1/4885KCNH2 991/4885L3MBTL3 2511/4885

“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.