SCHEMBL3062154

SCHEMBL3062154

COc1ccc(C)nc1COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C(=O)O)[C@H]2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.44
CYP2D6 P10635 3/20 0.40
S1PR1 P21453 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
SCHEMBL3062155 1.00 GHSR (0.44) GHSRCYP2D6S1PR1
SCHEMBL14781489 0.94 GHSR (0.43) GHSRCYP2D6S1PR1
SCHEMBL3056428 0.94 GHSR (0.48) GHSRCYP2D6
SCHEMBL3056430 0.94 GHSR (0.48) GHSRCYP2D6
SCHEMBL3078387 0.93 GHSR (0.50) GHSRCYP2D6
SCHEMBL3078386 0.93 GHSR (0.50) GHSRCYP2D6
SCHEMBL3067989 0.93 GHSR (0.42) GHSRCYP2D6
SCHEMBL3067987 0.93 GHSR (0.42) GHSRCYP2D6
SCHEMBL3071289 0.93 GHSR (0.46) GHSRCYP2D6
SCHEMBL3071292 0.93 GHSR (0.46) 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 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 1127/4885S1PR1 336/4885

“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.