SCHEMBL3596335

SCHEMBL3596335

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.35
USP2 O75604 1/20 0.35
MMP2 P08253 1/20 0.35
CTSS P25774 1/20 0.34
HTT P42858 2/20 0.34
F11 P03951 3/20 0.33
ABL1 P00519 2/20 0.32
KCNQ2 O43526 1/20 0.32
MAPT P10636 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
GFER P55789 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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 SCHEMBL3604814 0.99 PSMD14 (0.35) PSMD14USP2MMP2CTSSHTT
SCHEMBL3608262 0.91 TP53 (0.35) PSMD14USP2MMP2CTSSMAPT
Hydrochloric Acid SCHEMBL3607538 0.91 RORC (0.34) PSMD14USP2MMP2CTSSMAPT
SCHEMBL3597182 0.90 CTSS (0.36) PSMD14USP2MMP2CTSSF11
Hydrochloric Acid SCHEMBL3605940 0.90 GHSR (0.35) PSMD14USP2MMP2CTSSF11
Hydrochloric Acid SCHEMBL3607969 0.89 CTSS (0.35) PSMD14USP2MMP2CTSSF11
SCHEMBL3618049 0.88 XIAP (0.37) PSMD14USP2MMP2CTSSF11
Hydrochloric Acid SCHEMBL3607674 0.87 XIAP (0.36) PSMD14USP2MMP2CTSSF11
SCHEMBL3603783 0.83 RORC (0.34) MAPTALDH1A1MTNR1B
Hydrochloric Acid SCHEMBL3608979 0.83 MAPT (0.39) MAPTL3MBTL1KDM4EALDH1A1KMT2A

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 PSMD14 4704/4885USP2 4115/4885MMP2 1422/4885

“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.