SCHEMBL3617233

SCHEMBL3617233

CC(C)(C)OC(=O)Nc1ccc2c(c1)C(C(=O)O)N(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
GHSR Q92847 6/20 0.45
NR1I3 Q14994 3/20 0.43
KCNA5 P22460 1/20 0.42
LIPE Q05469 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3610576 0.83 GHSR (0.40) DRD2GHSRPOLB
SCHEMBL1052868 0.78 ACE (0.58) GHSR
SCHEMBL6126724 0.78 ACE (0.58) GHSR
SCHEMBL3604525 0.76 GHSR (0.50) GHSR
SCHEMBL9831619 0.74 NPC1 (0.53) DRD2NR1I3
SCHEMBL3599583 0.74 GHSR (0.49) GHSR
SCHEMBL7511979 0.74 ESR2 (0.54) GHSR
SCHEMBL2181843 0.74 ESR2 (0.58) DRD2
SCHEMBL13230394 0.74 KDM4E (0.71)
SCHEMBL3607650 0.73 GHSR (0.44) 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 DRD2 4578/4885GHSR 4556/4885NR1I3 732/4885

“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.