SCHEMBL4437366

SCHEMBL4437366

CC(C)N1CCCN(C(=O)c2ccc3c(c2)CCN(C(=O)C2CCCCC2)C3)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.61
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HRH3 Q9Y5N1 7/20 0.48
CHRNA7 P36544 2/20 0.47
KMT2A Q03164 2/20 0.46
ENPP2 Q13822 1/20 0.44
FASN P49327 1/20 0.42

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
SCHEMBL4438426 0.83 HDAC6 (0.62) HDAC6KEAP1ALDH1A1HRH3
SCHEMBL4504884 0.83 HRH3 (0.53) HDAC6KEAP1ALDH1A1HRH3CHRNA7
SCHEMBL4529449 0.82 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2A
SCHEMBL4514344 0.82 HDAC6 (0.67) HDAC6KEAP1ALDH1A1KMT2A
SCHEMBL4428062 0.82 HDAC6 (0.60) HDAC6KEAP1ALDH1A1HRH3
SCHEMBL4509076 0.81 HDAC6 (0.65) HDAC6KEAP1ALDH1A1HRH3KMT2A
SCHEMBL4505535 0.81 HRH3 (0.54) HDAC6HRH3CHRNA7
SCHEMBL4513268 0.81 HDAC6 (0.64) HDAC6KEAP1ALDH1A1KMT2AENPP2
SCHEMBL4513210 0.80 HDAC6 (0.64) HDAC6KEAP1ALDH1A1HRH3
SCHEMBL4516736 0.80 ESR2 (0.56) HDAC6HRH3CHRNA7KMT2A

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
EP-2125741-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO 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.