SCHEMBL4428062

SCHEMBL4428062

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCC1)C2)N1CCCN(C2CCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.60
L3MBTL3 Q96JM7 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
KEAP1 Q14145 1/20 0.51
KDM2B Q8NHM5 3/20 0.51
HRH3 Q9Y5N1 4/20 0.48
NAMPT P43490 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4438426 0.99 HDAC6 (0.62) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4513210 0.97 HDAC6 (0.64) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4513742 0.96 HDAC6 (0.54) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4509076 0.96 HDAC6 (0.65) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4519190 0.96 HDAC6 (0.61) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4436400 0.95 HDAC6 (0.56) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4514344 0.95 HDAC6 (0.67) HDAC6L3MBTL3L3MBTL1KEAP1NAMPT
SCHEMBL4529449 0.95 HDAC6 (0.67) HDAC6L3MBTL3L3MBTL1KEAP1NAMPT
SCHEMBL4521854 0.94 HDAC6 (0.58) HDAC6L3MBTL3L3MBTL1KEAP1KDM2B
SCHEMBL4519155 0.90 ACACB (0.51) HDAC6L3MBTL3L3MBTL1KDM2BHRH3

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 848/4885L3MBTL3 2511/4885L3MBTL1 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.