SCHEMBL4428104

SCHEMBL4428104

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc(F)c(Cl)c1)C2)N1CCN(C2CCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
NAMPT P43490 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC6A4 P31645 2/20 0.47
LRRK2 Q5S007 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL3 Q96JM7 3/20 0.46
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
TP53BP1 Q12888 1/20 0.43

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
SCHEMBL4431946 0.97 HRH3 (0.51) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4430826 0.91 HPGD (0.52) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4529909 0.89 HRH3 (0.62) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4436461 0.89 NAMPT (0.51) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4437246 0.87 NAMPT (0.61) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4521976 0.87 HRH3 (0.59) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4431284 0.87 NAMPT (0.51) HRH3NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL4430346 0.87 HRH3 (0.59) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4437242 0.87 KDM4E (0.66) HRH3NAMPTL3MBTL1KDM4EALDH1A1
SCHEMBL4436428 0.86 HRH3 (0.58) HRH3NAMPTL3MBTL1KDM4EALDH1A1

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 9 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
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 HRH3 1/4885NAMPT 1309/4885L3MBTL1 2302/4885

“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.