SCHEMBL4510484

SCHEMBL4510484

O=C(C1CCCCC1)N1CCc2cc(CN3CCCCC3)ccc2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
HDAC6 Q9UBN7 4/20 0.61
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL4516661 0.91 HDAC6 (0.56) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL4431778 0.89 HDAC6 (0.54) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL4439387 0.89 HDAC6 (0.52) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL4425666 0.86 KEAP1 (0.65) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL13889129 0.86 HDAC6 (0.52) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL4520621 0.86 HDAC6 (0.52) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL4430384 0.86 HDAC6 (0.52) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL13895391 0.84 HDAC6 (0.53) KEAP1HDAC6KDM4ETDP1GAA
SCHEMBL3060013 0.80 ESR1 (0.61) HDAC6KDM4EGAAALDH1A1
SCHEMBL6969813 0.79 KEAP1 (0.68) KEAP1HDAC6KDM4ETDP1ALDH1A1

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 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.