SCHEMBL3625545

SCHEMBL3625545

CN(C)c1ccc(CC(=O)N2CCCCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.47
AVPR2 P30518 3/20 0.44
AVPR1A P37288 1/20 0.44
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RORC P51449 3/20 0.42
NR1H2 P55055 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
THRB P10828 1/20 0.40
RIPK1 Q13546 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13317332 0.92 AVPR2 (0.44) NR1H3AVPR2AVPR1ATP53ALDH1A1
SCHEMBL3620198 0.89 NR1H3 (0.49) NR1H3TP53ALDH1A1RORCNR1H2
SCHEMBL3624100 0.89 NR1H3 (0.51) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL3628809 0.88 NR1H3 (0.50) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL3615126 0.88 RORC (0.55) NR1H3RORCNR1H2NR1I2
SCHEMBL3621272 0.88 NR1H3 (0.58) NR1H3ALDH1A1RORCNR1H2NR1I2
SCHEMBL3617712 0.87 NR1H3 (0.49) NR1H3AVPR2AVPR1AALDH1A1RORC
SCHEMBL3628178 0.86 NR1H3 (0.47) NR1H3TP53ALDH1A1RORCNR1H2
SCHEMBL3623850 0.86 ALDH1A1 (0.61) NR1H3TP53ALDH1A1RORCNR1H2
SCHEMBL3627249 0.86 NR1H3 (0.48) NR1H3ALDH1A1RORCNR1H2NR1I2

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 10 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-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 2/4885AVPR2 1976/4885AVPR1A 740/4885

“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.