SCHEMBL3604404

SCHEMBL3604404

CC(C)c1ccc(NS(C)(=O)=O)cc1NC(=O)C1c2ccccc2CCN1C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.40
RORC P51449 1/20 0.38
F11 P03951 1/20 0.38
ACE P12821 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
GHSR Q92847 2/20 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
SCHEMBL3612502 0.92 XIAP (0.38) XIAPRORCF11ACEPRMT5
SCHEMBL3609009 0.81 XIAP (0.42) XIAPRORCF11ACE
SCHEMBL3607633 0.79 XIAP (0.53) XIAPF11ACE
SCHEMBL3613913 0.79 KMT2A (0.42) XIAP
SCHEMBL3598924 0.78 XIAP (0.40) XIAPF11
SCHEMBL3612584 0.77 XIAP (0.42) XIAPRORCF11ACE
SCHEMBL3607351 0.77 RORC (0.37) RORCF11HTR1AHTR7
SCHEMBL3608276 0.74 RAB9A (0.53) XIAP
SCHEMBL3600106 0.73 POLB (0.47) XIAPRORCF11
SCHEMBL3604413 0.73 ALDH1A1 (0.47) XIAP

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 934/4885RORC 488/4885F11 4805/4885

“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.