SCHEMBL4516749

SCHEMBL4516749

O=C(c1ccc2c(c1)CCN(C(=O)C1CCCCC1)C2)N1CC2CCN(C3CCC3)C2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.58
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 1/20 0.47
KDM2B Q8NHM5 3/20 0.45
ENPP2 Q13822 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4507993 0.86 HDAC6 (0.62) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4516751 0.83 HDAC6 (0.56) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4431710 0.82 HDAC6 (0.64) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4521483 0.82 HDAC6 (0.61) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4509076 0.81 HDAC6 (0.65) HDAC6KEAP1ALDH1A1KDM2BKMT2A
SCHEMBL4529707 0.81 HDAC6 (0.52) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4527460 0.80 HDAC6 (0.59) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4527462 0.80 HDAC6 (0.59) HDAC6KEAP1ALDH1A1KDM2BENPP2
SCHEMBL4529449 0.80 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2ANAMPT
SCHEMBL4514344 0.80 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2ANAMPT

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 909/4885ALDH1A1 3918/4885

“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.