SCHEMBL4507993

SCHEMBL4507993

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2)N1CC2CN(C3CCC3)CC2C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.62
KEAP1 Q14145 1/20 0.53
KDM2B Q8NHM5 3/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ENPP2 Q13822 1/20 0.44
NAMPT P43490 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KMT2A Q03164 1/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4509076 0.89 HDAC6 (0.65) HDAC6KEAP1KDM2BALDH1A1NAMPT
SCHEMBL4513210 0.87 HDAC6 (0.64) HDAC6KEAP1KDM2BALDH1A1NAMPT
SCHEMBL4514344 0.87 HDAC6 (0.67) HDAC6KEAP1ALDH1A1NAMPTKMT2A
SCHEMBL4529449 0.87 HDAC6 (0.67) HDAC6KEAP1ALDH1A1NAMPTKMT2A
SCHEMBL4516749 0.86 HDAC6 (0.58) HDAC6KEAP1KDM2BALDH1A1CYP1A2
SCHEMBL4519190 0.86 HDAC6 (0.61) HDAC6KEAP1KDM2BALDH1A1NAMPT
SCHEMBL4438426 0.86 HDAC6 (0.62) HDAC6KEAP1KDM2BALDH1A1NAMPT
SCHEMBL4431710 0.85 HDAC6 (0.64) HDAC6KEAP1KDM2BALDH1A1CYP1A2
SCHEMBL4428062 0.84 HDAC6 (0.60) HDAC6KEAP1KDM2BALDH1A1NAMPT
SCHEMBL4433035 0.84 HDAC6 (0.65) HDAC6KEAP1ALDH1A1KMT2A

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 848/4885KEAP1 909/4885KDM2B 1123/4885

“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.