SCHEMBL3079418

SCHEMBL3079418

COC(=O)[C@H]1c2ccc(OCCCNC(=O)OC(C)(C)C)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 18/20 0.54
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47

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
SCHEMBL3079420 0.91 GHSR (0.49) GHSR
SCHEMBL3071283 0.88 GHSR (0.55) GHSRCA12CA1CA2CA9
SCHEMBL3078376 0.86 GHSR (0.56) GHSR
SCHEMBL3067914 0.83 GHSR (0.61) GHSR
SCHEMBL13139348 0.83 GHSR (0.61) GHSR
SCHEMBL13139335 0.83 GHSR (0.52) GHSR
SCHEMBL3067825 0.82 GHSR (0.55) GHSR
SCHEMBL3056712 0.82 GHSR (0.57) GHSR
SCHEMBL3075932 0.81 GHSR (0.63) GHSR
SCHEMBL3072637 0.81 GHSR (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 351/4885CA12 4877/4885CA1 4832/4885

“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.