SCHEMBL3617469

SCHEMBL3617469

CCCCCCCC(=O)N1CCc2ccccc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
SOAT2 O75908 1/20 0.43
ACAT1 P24752 1/20 0.43
SOAT1 P35610 1/20 0.43
MTNR1B P49286 2/20 0.42
RORC P51449 6/20 0.39
F11 P03951 1/20 0.39
XIAP P98170 1/20 0.38
GHSR Q92847 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36

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
SCHEMBL3616236 0.89 RORC (0.39) SOAT2ACAT1SOAT1MTNR1BRORC
SCHEMBL3607582 0.88 RORC (0.37) ACESOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3611410 0.87 RORC (0.36) ACESOAT2ACAT1SOAT1MTNR1B
SCHEMBL3616055 0.86 RORC (0.38) SOAT2ACAT1SOAT1MTNR1BRORC
SCHEMBL3596093 0.86 RORC (0.36) SOAT2ACAT1SOAT1MTNR1BRORC
Hydrochloric Acid SCHEMBL3604710 0.86 RORC (0.36) SOAT2ACAT1SOAT1MTNR1BRORC
Hydrochloric Acid SCHEMBL3609121 0.85 RORC (0.36) SOAT2ACAT1SOAT1MTNR1BRORC
SCHEMBL3608986 0.85 RORC (0.37) ACESOAT2ACAT1SOAT1MTNR1B
SCHEMBL3604075 0.85 RORC (0.38) SOAT2ACAT1SOAT1MTNR1BRORC
SCHEMBL3608890 0.84 OPRM1 (0.44) SOAT2ACAT1SOAT1F11PPARG

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 ACE 166/4885SOAT2 7/4885ACAT1 1/4885

“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.