SCHEMBL3623583

SCHEMBL3623583

O=C(CCc1ccccc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.56
RORC P51449 4/20 0.48
NPC1 O15118 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MLYCD O95822 7/20 0.45
NR1H2 P55055 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1I2 O75469 1/20 0.44
PARP1 P09874 1/20 0.42

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
SCHEMBL13317248 0.92 NR1H3 (0.46) NR1H3NPC1MAPTMAPK1RAB9A
SCHEMBL3621272 0.89 NR1H3 (0.58) NR1H3RORCMAPTRAB9ASMN1; SMN2
SCHEMBL12024334 0.89 NR1H3 (0.44) NR1H3NPC1MAPTMAPK1RAB9A
SCHEMBL3625739 0.88 NR1H3 (0.46) NR1H3RORCMAPK1NR1H2NR1I2
SCHEMBL3617770 0.85 NR1H3 (0.53) NR1H3RORCSMN1; SMN2TP53MLYCD
SCHEMBL3623926 0.85 NR1H3 (0.52) NR1H3RORCMLYCDNR1H2NR1I2
SCHEMBL3627751 0.82 NR1H3 (0.55) NR1H3RORCMAPTTP53NR1I2
SCHEMBL3625667 0.82 NR1H3 (0.55) NR1H3RORCNPC1MAPTRAB9A
SCHEMBL3619492 0.82 NR1H3 (0.55) NR1H3RORCNPC1MAPTRAB9A
SCHEMBL3619484 0.82 NR1H3 (0.55) NR1H3RORCNPC1RAB9ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 EP disclosed
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 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 66/4885NPC1 105/4885

“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.