SCHEMBL3626671

SCHEMBL3626671

O=C(c1c(F)cccc1F)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.53
RORC P51449 13/20 0.49
NR1H2 P55055 2/20 0.48
NR1I2 O75469 1/20 0.48
RORA P35398 1/20 0.46
RORB Q92753 1/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL3627809 0.88 NR1H3 (0.53) NR1H3RORCNR1H2NR1I2RORA
SCHEMBL3623608 0.87 RORC (0.49) NR1H3RORCNR1H2NR1I2RORA
SCHEMBL15108415 0.86 RORC (0.46) NR1H3RORCRORARORBTP53
SCHEMBL3626841 0.84 NR1H3 (0.61) NR1H3RORCNR1H2
SCHEMBL3618289 0.82 NR1H3 (0.51) NR1H3NR1H2TP53
SCHEMBL11607914 0.81 NOTUM (0.64) NR1H3RORCNR1H2NR1I2TP53
SCHEMBL3620178 0.81 HTT (0.61) NR1H3
SCHEMBL3615177 0.81 TSHR (0.61) NR1H3RORCTP53
SCHEMBL3615173 0.80 ALDH1A1 (0.60) NR1H3RORCNR1H2NR1I2TP53
SCHEMBL13317245 0.79 RORC (0.51) RORCRORARORB

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 9 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-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US 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
US-20070093470-A1 LXR modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 2/4885RORC 66/4885NR1H2 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.