SCHEMBL3598805

SCHEMBL3598805

COC(=O)CCc1ccc2c(c1)CN[C@H](C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.42
ROCK2 O75116 6/20 0.35
BLM P54132 1/20 0.34

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
SCHEMBL3598803 0.82 ROCK2 (0.34) ROCK2
SCHEMBL3603138 0.78 HDAC8 (0.48) HDAC8
SCHEMBL3615681 0.77 HDAC8 (0.37) HDAC8
SCHEMBL3603140 0.75 GHSR (0.37) HDAC8
SCHEMBL3615682 0.72 FKBP1A (0.31)
SCHEMBL3600884 0.69 ROCK2 (0.35) ROCK2
SCHEMBL3608110 0.64 GHSR (0.39) HDAC8
SCHEMBL8864481 0.63 HSD17B10 (0.46) BLM
SCHEMBL3614238 0.63 ROCK2 (0.37) ROCK2
SCHEMBL25014907 0.62 PTPN1 (0.44)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT HDAC8 375/4885ROCK2 1017/4885BLM 3191/4885

“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.