SCHEMBL3609159

SCHEMBL3609159

CC(=O)Oc1c(C)cc(NC(=O)C2c3cc(CNC(=O)OCc4ccccc4)ccc3CCN2C(=O)OC(C)(C)C)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 13/20 0.44
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL3603957 0.91 GHSR (0.35) GHSR
SCHEMBL3610576 0.86 GHSR (0.40) GHSRNPSR1MEN1KMT2A
SCHEMBL3608110 0.85 GHSR (0.39) GHSRNPSR1MEN1KMT2AHDAC8
SCHEMBL3603140 0.83 GHSR (0.37) GHSRNPSR1HDAC8
SCHEMBL3599583 0.81 GHSR (0.49) GHSRHDAC8ABCB1
SCHEMBL3603781 0.81 HDAC1 (0.35) NPSR1
SCHEMBL3609882 0.81 GHSR (0.37) GHSR
SCHEMBL3612561 0.78 GHSR (0.44) GHSRNPSR1MEN1KMT2A
SCHEMBL3608301 0.78 GHSR (0.38) GHSRNPSR1MEN1KMT2AHDAC8
SCHEMBL3612843 0.74 GHSR (0.35) GHSRMEN1KMT2A

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 GHSR 4556/4885NPSR1 3525/4885MEN1 4401/4885

“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.