SCHEMBL4429504

SCHEMBL4429504

CCC(=O)N1CCc2cc(C(=O)N3CCCN(C4CCC4)CC3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.48
L3MBTL1 Q9Y468 7/20 0.48
HRH3 Q9Y5N1 7/20 0.47
NAMPT P43490 2/20 0.46
KDM2B Q8NHM5 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL4430824 0.95 L3MBTL1 (0.51) L3MBTL3L3MBTL1HRH3NAMPTKDM2B
SCHEMBL4433015 0.86 HRH3 (0.48) L3MBTL3L3MBTL1HRH3NAMPTKDM2B
SCHEMBL4432948 0.86 L3MBTL3 (0.55) L3MBTL3L3MBTL1HRH3NAMPTMBTD1
SCHEMBL4431707 0.85 KDM4E (0.57) L3MBTL3L3MBTL1HRH3NAMPT
SCHEMBL4514585 0.85 L3MBTL3 (0.51) L3MBTL3L3MBTL1HRH3NAMPTKDM2B
SCHEMBL4438450 0.85 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3KDM2BMBTD1
SCHEMBL4430346 0.84 HRH3 (0.59) L3MBTL3L3MBTL1HRH3NAMPTKDM2B
SCHEMBL4437418 0.84 L3MBTL1 (0.49) L3MBTL3L3MBTL1HRH3NAMPT
SCHEMBL4428062 0.84 HDAC6 (0.60) L3MBTL3L3MBTL1HRH3NAMPTKDM2B
SCHEMBL4432907 0.84 NAMPT (0.58) L3MBTL3L3MBTL1HRH3NAMPTSLC6A4

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 L3MBTL3 2511/4885L3MBTL1 2302/4885HRH3 1/4885

“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.