SCHEMBL3069235

SCHEMBL3069235

COC(=O)C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2CCN1C(=O)OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.46
NR4A2 P43354 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
HTR2A P28223 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
MMP15 P51511 1/20 0.42
MMP16 P51512 1/20 0.42
ACACB O00763 1/20 0.41

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
SCHEMBL3067303 0.93 GHSR (0.46) GHSRPTGDR2MMP2MMP9MMP12
SCHEMBL3075407 0.92 GHSR (0.45) GHSRPTGDR2HTR2AACACB
SCHEMBL3078212 0.92 GHSR (0.45) GHSRHTR2AMMP2MMP9MMP14
SCHEMBL3074334 0.91 GHSR (0.47) GHSRPTGDR2
SCHEMBL3072628 0.91 GHSR (0.51) GHSRNR4A2
SCHEMBL3069230 0.89 GHSR (0.54) GHSRACACB
SCHEMBL3068014 0.88 GHSR (0.48) GHSRACACB
SCHEMBL3072406 0.87 GHSR (0.55) GHSR
SCHEMBL3066014 0.87 GHSR (0.52) GHSRACACB
SCHEMBL3077215 0.87 GHSR (0.50) GHSRACACB

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 351/4885NR4A2 25/4885NR4A1 15/4885

“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.