SCHEMBL3078387

SCHEMBL3078387

COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3nc(C)ccc3OC)ccc2[C@@H]1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.50
CYP2D6 P10635 3/20 0.41
TP53 P04637 1/20 0.36

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
SCHEMBL3078386 1.00 GHSR (0.50) GHSRCYP2D6TP53
SCHEMBL3075115 0.95 GHSR (0.45) GHSRCYP2D6
SCHEMBL3075112 0.95 GHSR (0.45) GHSRCYP2D6
SCHEMBL3072435 0.94 GHSR (0.44) GHSRCYP2D6
SCHEMBL3072433 0.94 GHSR (0.44) GHSRCYP2D6
SCHEMBL3056428 0.93 GHSR (0.48) GHSRCYP2D6
SCHEMBL3062154 0.93 GHSR (0.44) GHSRCYP2D6
SCHEMBL3062155 0.93 GHSR (0.44) GHSRCYP2D6
SCHEMBL3056430 0.93 GHSR (0.48) GHSRCYP2D6
SCHEMBL3075426 0.92 GHSR (0.43) GHSRCYP2D6TP53

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 11 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
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-7790745-B2 Tetrahydroisoquinoline LXR Modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US 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
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
US-20070093523-A1 Tetrahydroisoquinoline LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 351/4885CYP2D6 1127/4885TP53 3851/4885

“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.