SCHEMBL4425666

SCHEMBL4425666

O=C(C1CCCCC1)N1CCc2cc(CO)ccc2C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.65
HDAC6 Q9UBN7 6/20 0.65
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NAMPT P43490 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4510484 0.86 KEAP1 (0.61) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL4516661 0.83 HDAC6 (0.56) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL6969813 0.82 KEAP1 (0.68) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL4431778 0.81 HDAC6 (0.54) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL4431726 0.81 HDAC6 (0.77) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL13895391 0.80 HDAC6 (0.53) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL4437339 0.80 KEAP1 (0.65) KEAP1HDAC6KDM4ETDP1ALDH1A1
SCHEMBL16634622 0.79 NAMPT (0.49) ALDH1A1NAMPTCYP3A4CYP2C19KMT2A
SCHEMBL1264461 0.79 HDAC6 (1.00) KEAP1HDAC6ALDH1A1HDAC1
SCHEMBL1262890 0.79 HDAC6 (1.00) KEAP1HDAC6ALDH1A1HDAC1

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 3 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 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 KEAP1 909/4885HDAC6 848/4885KDM4E 1117/4885

“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.