SCHEMBL3625724

SCHEMBL3625724

CC1CCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ NR1H3 Q13133 7/20 0.40
▸ NR1H2 P55055 4/20 0.40
▸ RORC P51449 12/20 0.37
▸ NR1I2 O75469 2/20 0.37
▸ AR P10275 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11472931 0.92 AR (0.42) GAANR1H3NR1H2RORCNR1I2
SCHEMBL4415891 0.83 GAA (0.42) GAANR1H3NR1H2RORCAR
SCHEMBL3626397 0.80 NR1H3 (0.42) GAANR1H3NR1H2RORCNR1I2
SCHEMBL6754237 0.77 AR (0.49) GAAARMEN1MAPK1KMT2A
SCHEMBL6754239 0.77 AR (0.49) GAAARMEN1MAPK1KMT2A
SCHEMBL6754193 0.77 AR (0.49) GAAARMEN1MAPK1KMT2A
SCHEMBL6490339 0.76 GAA (0.62) GAANR1H3NR1H2RORCNR1I2
SCHEMBL3625824 0.74 GAA (0.57) GAANR1H3NR1H2RORCNR1I2
SCHEMBL16564686 0.74 GAA (0.46) GAANR1H3NR1H2RORCNR1I2
SCHEMBL11249086 0.73 MEN1 (0.38) NR1H3NR1H2RORCNR1I2AR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 — — EP disclosed
US-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
US-20070093470-A1 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-20070093470-A1 LXR modulators NR1H2, NR1H3, RXRB GAA 3816/4885NR1H3 2/4885NR1H2 1/4885

“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.

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