SCHEMBL4438668

SCHEMBL4438668

O=C(c1ccc2c(c1)CCN(C(=O)c1ccc(F)c(O)c1)C2)N1CCCN(C2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
HRH3 Q9Y5N1 9/20 0.47
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MGLL Q99685 1/20 0.45
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC6A4 P31645 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
SCHEMBL4436461 0.97 NAMPT (0.51) NAMPTHRH3L3MBTL3L3MBTL1MGLL
SCHEMBL4431946 0.89 HRH3 (0.51) NAMPTHRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL4432907 0.89 NAMPT (0.58) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4520535 0.88 NAMPT (0.48) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4430346 0.87 HRH3 (0.59) NAMPTHRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL4429429 0.87 MEN1 (0.54) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4428104 0.86 HRH3 (0.51) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4431707 0.86 KDM4E (0.57) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4516697 0.86 NAMPT (0.53) NAMPTHRH3L3MBTL3L3MBTL1HTT
SCHEMBL4437246 0.86 NAMPT (0.61) NAMPTHRH3L3MBTL3L3MBTL1HTT

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 1309/4885HRH3 1/4885L3MBTL3 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.