SCHEMBL3606920

SCHEMBL3606920

CC(=O)Oc1c(C)cc(NC(=O)C2NCCc3ccc(NC(=O)OC(C)(C)C)cc32)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
NR1I3 Q14994 5/20 0.34
RORC P51449 7/20 0.33
DGAT1 O75907 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 2/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3614238 0.81 ROCK2 (0.37)
SCHEMBL3617245 0.80 HTT (0.42) NPC1RAB9A
SCHEMBL3600884 0.78 ROCK2 (0.35)
SCHEMBL3609714 0.77 RORC (0.36) NR1I3RORC
SCHEMBL3610576 0.76 GHSR (0.40) RORC
SCHEMBL3608110 0.69 GHSR (0.39)
SCHEMBL3612561 0.68 GHSR (0.44) NPC1RAB9A
SCHEMBL3603140 0.67 GHSR (0.37)
SCHEMBL3609022 0.65 PPARD (0.43)
SCHEMBL2229710 0.65 MEN1 (0.49) CA12CA1CA9NR1I3NPC1

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 CA12 2370/4885CA1 1914/4885CA9 2329/4885

“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.