SCHEMBL3616236

SCHEMBL3616236

CCCCCC(=O)N1CCc2ccc(O)cc2C1C(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.39
SOAT2 O75908 1/20 0.37
ACAT1 P24752 1/20 0.37
SOAT1 P35610 1/20 0.37
MTNR1B P49286 2/20 0.37
TP53 P04637 1/20 0.35
GHSR Q92847 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33

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
SCHEMBL3607582 0.91 RORC (0.37) RORCSOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3611410 0.91 RORC (0.36) RORCSOAT2ACAT1SOAT1MTNR1B
SCHEMBL3616055 0.90 RORC (0.38) RORCSOAT2ACAT1SOAT1MTNR1B
SCHEMBL3596093 0.90 RORC (0.36) RORCSOAT2ACAT1SOAT1MTNR1B
SCHEMBL3617469 0.89 ACE (0.43) RORCSOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3609121 0.89 RORC (0.36) RORCSOAT2ACAT1SOAT1MTNR1B
SCHEMBL3608986 0.89 RORC (0.37) RORCSOAT2ACAT1SOAT1MTNR1B
SCHEMBL3604075 0.88 RORC (0.38) RORCSOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3610550 0.88 RORC (0.37) RORCSOAT2ACAT1SOAT1MTNR1B
Hydrochloric Acid SCHEMBL3604710 0.88 RORC (0.36) RORCSOAT2ACAT1SOAT1MTNR1B

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 RORC 488/4885SOAT2 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.