SCHEMBL3607650

SCHEMBL3607650

CC(C)(C)OC(=O)N1CCc2ccc(CO)cc2C1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.44
NR1H2 P55055 2/20 0.42
ESR2 Q92731 1/20 0.40
ACE P12821 2/20 0.40
RXRA P19793 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL3601158 0.89 GHSR (0.43) GHSRNR1H2ESR2
SCHEMBL5776482 0.86 NR1H2 (0.44) GHSRNR1H2ESR2RXRANR1H3
SCHEMBL7511979 0.85 ESR2 (0.54) GHSRNR1H2ESR2ACE
SCHEMBL15605812 0.84 GHSR (0.47) GHSRNR1H2ESR2ACE
SCHEMBL3614996 0.81 DRD2 (0.45) GHSRNR1H2ESR2
SCHEMBL17833754 0.81 GHSR (0.42) GHSRNR1H2ESR2ACE
SCHEMBL14744581 0.81 ACE (0.56) GHSRACE
SCHEMBL605316 0.81 ACE (0.56) GHSRACE
SCHEMBL30310636 0.81 ACE (0.56) GHSRACE
SCHEMBL18066415 0.81 ACE (0.56) GHSRACE

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 4556/4885NR1H2 209/4885ESR2 3687/4885

“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.