SCHEMBL3603957

SCHEMBL3603957

CCC(C)(C)C(=O)N1CCc2ccc(CNC(=O)OCc3ccccc3)cc2C1C(=O)Nc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.35
TBXA2R P21731 1/20 0.33
KCNA5 P22460 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
SCHEMBL3609159 0.91 GHSR (0.44) GHSR
SCHEMBL3609882 0.90 GHSR (0.37) GHSRKCNA5
SCHEMBL3610528 0.84 GHSR (0.30) GHSR
SCHEMBL3615682 0.83 FKBP1A (0.31)
SCHEMBL3603781 0.82 HDAC1 (0.35) TBXA2RKCNA5
SCHEMBL3613409 0.81 DRD2 (0.30) GHSR
SCHEMBL3610576 0.80 GHSR (0.40) GHSR
SCHEMBL3616692 0.79 PPARA (0.32)
SCHEMBL3612843 0.77 GHSR (0.35) GHSR
SCHEMBL3608110 0.75 GHSR (0.39) 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 4556/4885TBXA2R 1198/4885KCNA5 2771/4885

“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.