SCHEMBL13895391

SCHEMBL13895391

O=C(C1CCCCC1)N1CCc2cc(CN3CCCC3N3CCCC3)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.53
KEAP1 Q14145 1/20 0.53
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4430384 0.84 HDAC6 (0.52) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL13889129 0.84 HDAC6 (0.52) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL4510484 0.84 KEAP1 (0.61) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL4425666 0.80 KEAP1 (0.65) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL4520621 0.80 HDAC6 (0.52) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL13895376 0.78 HDAC6 (0.63) HDAC6KEAP1KDM4ETDP1ALDH1A1
SCHEMBL4431778 0.78 HDAC6 (0.54) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL4439387 0.78 HDAC6 (0.52) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL4516661 0.78 HDAC6 (0.56) HDAC6KEAP1KDM4ETDP1GAA
SCHEMBL6969813 0.73 KEAP1 (0.68) HDAC6KEAP1KDM4ETDP1ALDH1A1

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 1 patent. 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 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 909/4885KDM4E 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.