SCHEMBL4513124

SCHEMBL4513124

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.61
L3MBTL3 Q96JM7 6/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KEAP1 Q14145 1/20 0.52
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MBTD1 Q05BQ5 4/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
EPHX2 P34913 1/20 0.45

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
SCHEMBL4433035 0.92 HDAC6 (0.65) HDAC6L3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL4529449 0.89 HDAC6 (0.67) HDAC6L3MBTL3L3MBTL1KMT2AKEAP1
SCHEMBL4514344 0.89 HDAC6 (0.67) HDAC6L3MBTL3L3MBTL1KMT2AKEAP1
SCHEMBL4509076 0.88 HDAC6 (0.65) HDAC6L3MBTL3L3MBTL1KMT2AKEAP1
SCHEMBL4513210 0.86 HDAC6 (0.64) HDAC6L3MBTL3L3MBTL1KEAP1ALDH1A1
SCHEMBL4519190 0.85 HDAC6 (0.61) HDAC6L3MBTL3L3MBTL1KEAP1ALDH1A1
SCHEMBL4438426 0.85 HDAC6 (0.62) HDAC6L3MBTL3L3MBTL1KEAP1ALDH1A1
SCHEMBL4428062 0.84 HDAC6 (0.60) HDAC6L3MBTL3L3MBTL1KEAP1ALDH1A1
SCHEMBL4521854 0.83 HDAC6 (0.58) HDAC6L3MBTL3L3MBTL1KEAP1ALDH1A1
SCHEMBL4507993 0.81 HDAC6 (0.62) HDAC6KMT2AKEAP1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US 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.