SCHEMBL3066683

SCHEMBL3066683

COC(=O)C1c2ccc(OCc3c(F)ccc(Cl)c3F)cc2CCN1C(=O)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.50
RORC P51449 8/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
MMP15 P51511 1/20 0.43
MMP16 P51512 1/20 0.43
GRIN2C Q14957 2/20 0.42
ACACB O00763 1/20 0.40

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
SCHEMBL3066686 1.00 GHSR (0.50) GHSRRORCMMP2MMP9MMP12
SCHEMBL3056787 0.91 GHSR (0.48) GHSRRORCMMP2MMP9MMP12
SCHEMBL3056788 0.91 GHSR (0.48) GHSRRORCMMP2MMP9MMP12
SCHEMBL3074281 0.89 GHSR (0.51) GHSRMMP2MMP9MMP12MMP14
SCHEMBL3074665 0.89 GHSR (0.51) GHSRMMP2MMP9MMP12MMP14
SCHEMBL3066711 0.89 GHSR (0.49) GHSRRORCMMP2MMP9MMP12
SCHEMBL3066715 0.89 GHSR (0.49) GHSRRORCMMP2MMP9MMP12
SCHEMBL13139224 0.89 ESR1 (0.43) GHSRRORCMMP2MMP9MMP12
SCHEMBL3067166 0.87 GHSR (0.52) GHSRRORCMMP2MMP9MMP12
SCHEMBL3067163 0.87 GHSR (0.52) GHSRRORCMMP2MMP9MMP12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951675-B1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-03-20 EP disclosed
US-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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-20070093523-A1 Tetrahydroisoquinoline LXR modulators NR1H2, NR1H3, NR1I2 GHSR 351/4885RORC 70/4885MMP2 4752/4885

“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.