SCHEMBL3612502

SCHEMBL3612502

CCC(C)(C)C(=O)N1CCc2ccccc2C1C(=O)Nc1cc(NS(C)(=O)=O)ccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XIAP P98170 7/20 0.38
F11 P03951 1/20 0.37
RORC P51449 1/20 0.36
ACE P12821 1/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
RIPK1 Q13546 2/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GHSR Q92847 1/20 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
SCHEMBL3604404 0.92 XIAP (0.40) XIAPF11RORCACEHTR1A
SCHEMBL3608895 0.78 XIAP (0.40) XIAPF11RORCACERIPK1
SCHEMBL3612823 0.78 XIAP (0.44) XIAPF11ACERIPK1GHSR
SCHEMBL3612314 0.76 XIAP (0.43) XIAPF11ACERIPK1GHSR
SCHEMBL18711706 0.74 RIPK1 (0.49) XIAPF11ACERIPK1ALDH1A1
SCHEMBL3609009 0.73 XIAP (0.42) XIAPF11RORCACEALDH1A1
SCHEMBL3601025 0.72 XIAP (0.39) XIAPF11
SCHEMBL3613913 0.72 KMT2A (0.42) XIAPALDH1A1SMN1; SMN2
SCHEMBL3607633 0.71 XIAP (0.53) XIAPF11ACE
SCHEMBL3598924 0.70 XIAP (0.40) XIAPF11

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 4 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 claimed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP claimed
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 934/4885F11 4805/4885RORC 488/4885

“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.