SCHEMBL3079422

SCHEMBL3079422

CC(C)(C)OC(=O)N1CCc2cc(OCc3c(F)ccc(Cl)c3F)ccc2C1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.44
HDAC8 Q9BY41 1/20 0.40
GRIN2C Q14957 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 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
SCHEMBL3075071 0.98 GHSR (0.44) GHSRHDAC8GRIN2CLMNATSHR
SCHEMBL3068002 0.97 GHSR (0.44) GHSRHDAC8GRIN2C
SCHEMBL3067999 0.97 GHSR (0.44) GHSRHDAC8GRIN2C
SCHEMBL3069282 0.85 GHSR (0.48) GHSR
SCHEMBL3069281 0.85 GHSR (0.48) GHSR
SCHEMBL3074281 0.85 GHSR (0.51) GHSRGRIN2C
SCHEMBL3074665 0.85 GHSR (0.51) GHSRGRIN2C
SCHEMBL3075413 0.83 GHSR (0.51) GHSRGRIN2C
SCHEMBL3067166 0.78 GHSR (0.52) GHSRGRIN2C
SCHEMBL3067163 0.78 GHSR (0.52) GHSRGRIN2C

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 7 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-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-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 351/4885HDAC8 1021/4885GRIN2C 800/4885

“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.