SCHEMBL3080280

SCHEMBL3080280

COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)C(C)C)C2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TP53 P04637 4/20 0.46
CYP2D6 P10635 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GHSR Q92847 2/20 0.40
GRIN2C Q14957 1/20 0.38
S1PR1 P21453 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3080277 1.00 POLB (0.47) POLBTP53CYP2D6MEN1KMT2A
SCHEMBL3074756 0.92 CYP2D6 (0.42) POLBTP53CYP2D6GHSRGAA
SCHEMBL3080117 0.90 CYP2D6 (0.48) POLBTP53CYP2D6GHSRS1PR1
SCHEMBL3080112 0.90 CYP2D6 (0.48) POLBTP53CYP2D6GHSRS1PR1
SCHEMBL3067684 0.90 CYP2D6 (0.42) POLBTP53CYP2D6GHSRGRIN2C
SCHEMBL3067685 0.90 CYP2D6 (0.42) POLBTP53CYP2D6GHSRGRIN2C
SCHEMBL3068382 0.90 MEN1 (0.46) POLBTP53CYP2D6MEN1KMT2A
SCHEMBL3068385 0.90 MEN1 (0.46) POLBTP53CYP2D6MEN1KMT2A
SCHEMBL3065997 0.89 MTNR1B (0.43) POLBTP53CYP2D6MEN1KMT2A
SCHEMBL3066000 0.89 MTNR1B (0.43) POLBTP53CYP2D6MEN1KMT2A

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 POLB 2287/4885TP53 3851/4885CYP2D6 1127/4885

“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.