SCHEMBL3077085

SCHEMBL3077085

COC(=O)C1c2ccc(OCc3ccc(F)cc3C(F)(F)F)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 16/20 0.44
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL3077131 0.90 GHSR (0.46) GHSRPOLBHTR2A
SCHEMBL3069513 0.89 GHSR (0.46) GHSR
SCHEMBL3078212 0.89 GHSR (0.45) GHSRPOLBHTR2A
SCHEMBL3080155 0.89 GHSR (0.46) GHSRPOLB
SCHEMBL3077083 0.88 GHSR (0.51) GHSR
SCHEMBL14775558 0.87 GHSR (0.45) GHSR
SCHEMBL3076017 0.86 GHSR (0.54) GHSR
SCHEMBL3056377 0.86 GHSR (0.44) GHSR
SCHEMBL3068636 0.86 GHSR (0.48) GHSR
SCHEMBL3062808 0.86 GHSR (0.46) GHSR

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 351/4885POLB 2287/4885HTR2A 646/4885

“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.