SCHEMBL3072433

SCHEMBL3072433

CCOC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3nc(C)ccc3OC)ccc2C1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 13/20 0.44
CYP2D6 P10635 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL3072435 1.00 GHSR (0.44) GHSRCYP2D6TDP1MAPTPPARG
SCHEMBL3078387 0.94 GHSR (0.50) GHSRCYP2D6
SCHEMBL3078386 0.94 GHSR (0.50) GHSRCYP2D6
SCHEMBL3075115 0.93 GHSR (0.45) GHSRCYP2D6
SCHEMBL3075112 0.93 GHSR (0.45) GHSRCYP2D6
SCHEMBL13139370 0.92 GHSR (0.41) GHSRCYP2D6PPARGPPARA
SCHEMBL13139372 0.92 GHSR (0.41) GHSRCYP2D6PPARGPPARA
SCHEMBL3056428 0.92 GHSR (0.48) GHSRCYP2D6
SCHEMBL3062155 0.92 GHSR (0.44) GHSRCYP2D6
SCHEMBL3062154 0.92 GHSR (0.44) GHSRCYP2D6

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 351/4885CYP2D6 1127/4885TDP1 3171/4885

“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.