SCHEMBL3597182

SCHEMBL3597182

CC(=O)N1CCc2ccc(N3CCCC3)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
RORC P51449 1/20 0.35
F11 P03951 3/20 0.34
XIAP P98170 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 3/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 2/20 0.33
PSMD14 O00487 1/20 0.33
MMP2 P08253 1/20 0.33
KCNQ2 O43526 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33
GLA P06280 1/20 0.32
MCL1 Q07820 1/20 0.32

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
Hydrochloric Acid SCHEMBL3607969 0.99 CTSS (0.35) CTSSRORCF11XIAPALDH1A1
SCHEMBL3596335 0.90 PSMD14 (0.35) CTSSF11ALDH1A1MAPTKDM4E
SCHEMBL3618049 0.90 XIAP (0.37) CTSSF11XIAPALDH1A1MAPT
Hydrochloric Acid SCHEMBL3607674 0.89 XIAP (0.36) CTSSF11XIAPALDH1A1MAPT
Hydrochloric Acid SCHEMBL3604814 0.89 PSMD14 (0.35) CTSSF11ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3605940 0.87 GHSR (0.35) CTSSRORCF11KMT2AUSP2
SCHEMBL3608262 0.87 TP53 (0.35) CTSSRORCMAPTKMT2AUSP2
Hydrochloric Acid SCHEMBL3607538 0.86 RORC (0.34) CTSSRORCMAPTKMT2AUSP2
SCHEMBL3595832 0.84 CTSS (0.39) CTSSF11ALDH1A1KMT2AMEN1
SCHEMBL3603783 0.79 RORC (0.34) RORCALDH1A1MAPT

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 CTSS 1774/4885RORC 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.