SCHEMBL4432769

SCHEMBL4432769

CC(C)(C)C(=O)N1CCc2cc(C(=O)N3CCN(C4CCC4)CC3)ccc2C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.60
HDAC8 Q9BY41 2/20 0.60
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NAMPT P43490 2/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KDM2B Q8NHM5 1/20 0.45
RIPK1 Q13546 1/20 0.45
KCNH2 Q12809 1/20 0.44
TRPV6 Q9H1D0 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
SCHEMBL4428081 0.98 HDAC6 (0.60) HDAC6HDAC8L3MBTL3L3MBTL1NAMPT
SCHEMBL4514585 0.88 L3MBTL3 (0.51) L3MBTL3L3MBTL1NAMPTHRH3KDM2B
SCHEMBL4524503 0.87 MEN1 (0.52) L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4430323 0.86 L3MBTL3 (0.52) L3MBTL3L3MBTL1NAMPTHRH3KDM2B
SCHEMBL4520495 0.84 L3MBTL3 (0.53) L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4519190 0.84 HDAC6 (0.61) HDAC6L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4437349 0.84 KDM4E (0.60) HDAC6L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4521854 0.84 HDAC6 (0.58) HDAC6L3MBTL3L3MBTL1NAMPTHRH3
SCHEMBL4430495 0.84 NAMPT (0.53) HDAC6L3MBTL3L3MBTL1NAMPT
SCHEMBL4520156 0.84 ESR2 (0.57) L3MBTL3L3MBTL1NAMPTHRH3KCNH2

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 HDAC6 848/4885HDAC8 536/4885L3MBTL3 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.