SCHEMBL3600860

SCHEMBL3600860

CCC(=O)N1CCc2ccccc2C1C(=O)Nc1c(C)cc(C)c(NS(C)(=O)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.41
XIAP P98170 9/20 0.41
ACE P12821 2/20 0.40
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MTNR1B P49286 2/20 0.35
DRD1 P21728 1/20 0.35
HHAT Q5VTY9 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
SCHEMBL3609875 0.90 ACE (0.41) F11XIAPACEMTNR1B
SCHEMBL3610934 0.90 GHSR (0.43) F11XIAPACE
SCHEMBL3608895 0.88 XIAP (0.40) F11XIAPACEPPARGPPARD
SCHEMBL3612584 0.87 XIAP (0.42) F11XIAPACEPPARGPPARD
SCHEMBL3608946 0.83 F11 (0.38) F11XIAP
SCHEMBL3608334 0.79 XIAP (0.41) F11XIAPACEPPARGPPARD
SCHEMBL3609009 0.77 XIAP (0.42) F11XIAPACE
SCHEMBL3598924 0.75 XIAP (0.40) F11XIAPPPARGPPARDPPARA
SCHEMBL3602362 0.74 XIAP (0.33) XIAP
SCHEMBL3607627 0.74 ACE (0.47) XIAPACEMTNR1B

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 F11 4805/4885XIAP 934/4885ACE 166/4885

“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.