SCHEMBL3626397

SCHEMBL3626397

OC(c1ccc2c(c1)CCCC(c1ccccc1)N2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 6/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ RORC P51449 11/20 0.40
▸ NR1I2 O75469 3/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ GRIN2B Q13224 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KIF11 P52732 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
SCHEMBL3625724 0.80 GAA (0.42) NR1H3RORCNR1I2NR1H2GAA
SCHEMBL15888360 0.79 ESR1 (0.51) ESR1ESR2KIF11
SCHEMBL26613441 0.79 ESR1 (0.51) ESR1ESR2KIF11
SCHEMBL29746449 0.79 ESR1 (0.51) ESR1ESR2KIF11
SCHEMBL29746091 0.77 ESR1 (0.52) ESR1ESR2GAAKIF11
SCHEMBL26613367 0.77 ESR1 (0.52) ESR1ESR2GAAKIF11
SCHEMBL3623833 0.76 MEN1 (0.57) NR1H3RORCNR1I2NR1H2
SCHEMBL11472931 0.74 AR (0.42) NR1H3ESR1ESR2RORCNR1I2
SCHEMBL618869 0.74 MEN1 (0.44) ESR1ESR2GRIN2BGAA
SCHEMBL6490339 0.72 GAA (0.62) NR1H3RORCNR1I2NR1H2GAA

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-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
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 NR1H3 2/4885ESR1 52/4885ESR2 28/4885

“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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