SCHEMBL3603491

SCHEMBL3603491

Cc1cc(C)c(NS(=O)(=O)NC(=O)OC(C)(C)C)c(C)c1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 8/20 0.38
GHSR Q92847 7/20 0.36
DRD2 P14416 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL3612584 0.86 XIAP (0.42) XIAP
SCHEMBL3608334 0.86 XIAP (0.41) XIAP
SCHEMBL3613507 0.79 XIAP (0.43) XIAP
SCHEMBL3612848 0.79 XIAP (0.47) XIAP
SCHEMBL3609009 0.79 XIAP (0.42) XIAP
SCHEMBL3608895 0.78 XIAP (0.40) XIAP
SCHEMBL3612013 0.77 XIAP (0.41) XIAP
SCHEMBL3598720 0.77 XIAP (0.45) XIAP
SCHEMBL3612495 0.77 XIAP (0.50) XIAP
SCHEMBL3610934 0.76 GHSR (0.43) XIAPGHSR

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 XIAP 934/4885GHSR 4556/4885DRD2 4578/4885

“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.