SCHEMBL3609124

SCHEMBL3609124

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.33
RIPK1 Q13546 3/20 0.32
NR1H2 P55055 1/20 0.32
F11 P03951 4/20 0.32
CNR2 P34972 1/20 0.31
XIAP P98170 2/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
SOAT2 O75908 1/20 0.30
ACAT1 P24752 1/20 0.30
SOAT1 P35610 1/20 0.30

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 SCHEMBL3610601 0.99 RAD52 (0.32) RAD52RIPK1NR1H2F11CNR2
SCHEMBL3604212 0.91 NR1H2 (0.34) RAD52NR1H2F11XIAPPPARG
Hydrochloric Acid SCHEMBL3603755 0.90 NR1H2 (0.34) RAD52NR1H2F11XIAP
Hydrochloric Acid SCHEMBL3607691 0.89 CYP2D6 (0.33) RIPK1F11CNR2PPARGPPARD
SCHEMBL3608297 0.88 RIPK1 (0.32) RIPK1F11CNR2
Hydrochloric Acid SCHEMBL3604099 0.87 F11 (0.31) RIPK1F11CNR2
SCHEMBL3614824 0.87 GHSR (0.37) RAD52NR1H2F11XIAPPPARG
SCHEMBL3613400 0.86 CYP2D6 (0.31) RIPK1F11XIAPPPARGPPARD
Hydrochloric Acid SCHEMBL3608128 0.86 GHSR (0.36) RAD52NR1H2F11XIAPPPARG
SCHEMBL3599877 0.86 RORC (0.34) RIPK1F11PPARGPPARDPPARA

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 RAD52 3267/4885RIPK1 4420/4885NR1H2 209/4885

“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.