SCHEMBL4529449

SCHEMBL4529449

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2)N1CCN(C2CCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.67
KEAP1 Q14145 1/20 0.57
NAMPT P43490 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL4514344 1.00 HDAC6 (0.67) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4509076 0.99 HDAC6 (0.65) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4513210 0.98 HDAC6 (0.64) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4519190 0.97 HDAC6 (0.61) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4438426 0.96 HDAC6 (0.62) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4428062 0.95 HDAC6 (0.60) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4521854 0.94 HDAC6 (0.58) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4433035 0.92 HDAC6 (0.65) HDAC6KEAP1L3MBTL1L3MBTL3ALDH1A1
SCHEMBL4433794 0.92 HDAC6 (0.62) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3
SCHEMBL4436400 0.92 HDAC6 (0.56) HDAC6KEAP1NAMPTL3MBTL1L3MBTL3

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
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP 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
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
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 848/4885KEAP1 909/4885NAMPT 1309/4885

“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.