SCHEMBL3081141

SCHEMBL3081141

COC(=O)C1c2ccc(OCc3cc(NC(C)=O)ccc3Cl)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.44
ACACB O00763 1/20 0.42
RORC P51449 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
SCHEMBL3067303 0.90 GHSR (0.46) GHSRACACB
SCHEMBL3068566 0.88 GHSR (0.45) GHSRACACB
SCHEMBL3072920 0.88 GHSR (0.52) GHSRACACB
SCHEMBL3081136 0.88 GHSR (0.52) GHSRRORC
SCHEMBL3072628 0.87 GHSR (0.51) GHSRRORC
SCHEMBL3078258 0.87 GHSR (0.53) GHSR
SCHEMBL3069858 0.85 GHSR (0.43) GHSRACACB
SCHEMBL3069235 0.85 GHSR (0.46) GHSRACACB
SCHEMBL3068014 0.85 GHSR (0.48) GHSRACACB
SCHEMBL3066586 0.84 GHSR (0.51) 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 5 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
EP-1951675-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO 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.