SCHEMBL3597442

SCHEMBL3597442

CCOC(=O)C(C)(C)Oc1ccc2c(c1)C(C(=O)O)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.42
PPARA Q07869 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARG P37231 2/20 0.38
NR1H2 P55055 1/20 0.37

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
SCHEMBL3616932 0.88 GHSR (0.48) GHSRPPARAPPARG
SCHEMBL3608301 0.81 GHSR (0.38) GHSR
SCHEMBL7511979 0.78 ESR2 (0.54) GHSRHTR2ANR1H2
SCHEMBL17390968 0.78 GHSR (0.58) GHSR
SCHEMBL3607650 0.77 GHSR (0.44) GHSRNR1H2
SCHEMBL15605812 0.77 GHSR (0.47) GHSRNR1H2
SCHEMBL4481872 0.76 ESR2 (0.49) GHSRNR1H2
SCHEMBL3614996 0.74 DRD2 (0.45) GHSRNR1H2
SCHEMBL18066415 0.74 ACE (0.56) GHSR
SCHEMBL14744581 0.74 ACE (0.56) GHSR

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 2 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 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 GHSR 4556/4885PPARA 542/4885ABCB11 763/4885

“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.