SCHEMBL3628348

SCHEMBL3628348

CC[C@H](C(=O)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 7/20 0.53
▸ NR1H2 P55055 4/20 0.46
▸ RORC P51449 4/20 0.46
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 4/20 0.43
▸ NR1I2 O75469 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL3623627 1.00 NR1H3 (0.53) NR1H3NR1H2RORCPOLBNPSR1
SCHEMBL3623624 1.00 NR1H3 (0.53) NR1H3NR1H2RORCPOLBNPSR1
SCHEMBL13317251 0.92 POLB (0.45) NR1H3NR1H2POLBNPSR1HTT
SCHEMBL13317253 0.92 POLB (0.45) NR1H3NR1H2POLBNPSR1HTT
SCHEMBL3626532 0.87 NR1H3 (0.56) NR1H3NR1H2RORCNPSR1HTT
SCHEMBL3619548 0.87 NR1H3 (0.56) NR1H3NR1H2RORCNPSR1HTT
SCHEMBL3619551 0.87 NR1H3 (0.56) NR1H3NR1H2RORCNPSR1HTT
SCHEMBL3626451 0.86 NR1H3 (0.57) NR1H3NR1H2RORCNPSR1HTT
SCHEMBL3626580 0.86 NR1H3 (0.57) NR1H3NR1H2RORCNPSR1HTT
SCHEMBL3626445 0.86 NR1H3 (0.57) NR1H3NR1H2RORCNPSR1HTT

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-1951676-B1 N-ACYL BENZAZEPINE DERIVATIVES AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-07-17 — — 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 2/4885NR1H2 1/4885RORC 66/4885

“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.

Send feedback