SCHEMBL3077111

SCHEMBL3077111

COC(=O)C1c2ccc(OCc3c(F)ccc(NC(C)=O)c3F)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.43
ACACB O00763 1/20 0.40
RORC P51449 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
SCHEMBL3066451 0.91 GHSR (0.47) GHSR
SCHEMBL3067883 0.89 GHSR (0.45) GHSR
SCHEMBL3067978 0.89 GHSR (0.45) GHSR
SCHEMBL14775569 0.89 GHSR (0.45) GHSRACACB
SCHEMBL3074667 0.88 GHSR (0.45) GHSRACACB
SCHEMBL3074278 0.88 GHSR (0.45) GHSRACACB
SCHEMBL3066771 0.88 GHSR (0.50) GHSR
SCHEMBL3077110 0.88 GHSR (0.49) GHSR
SCHEMBL3074287 0.86 GHSR (0.43) GHSR
SCHEMBL3081269 0.86 GHSR (0.47) GHSRACACB

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 351/4885ACACB 555/4885RORC 70/4885

“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.