SCHEMBL3626532

SCHEMBL3626532

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.56
RORC P51449 6/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H2 P55055 4/20 0.47
LMNA P02545 1/20 0.44
NR1I2 O75469 1/20 0.44
NOTUM Q6P988 1/20 0.42
RIPK1 Q13546 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MTTP P55157 2/20 0.39
GRM7 Q14831 1/20 0.39

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
SCHEMBL3619551 1.00 NR1H3 (0.56) NR1H3RORCNPSR1MEN1HTT
SCHEMBL3619548 1.00 NR1H3 (0.56) NR1H3RORCNPSR1MEN1HTT
SCHEMBL13317244 0.92 MEN1 (0.47) NR1H3RORCNPSR1MEN1HTT
SCHEMBL13317250 0.92 MEN1 (0.47) NR1H3RORCNPSR1MEN1HTT
SCHEMBL13317252 0.92 MEN1 (0.47) NR1H3RORCNPSR1MEN1HTT
SCHEMBL3621615 0.91 NPSR1 (0.46) NR1H3RORCNPSR1MEN1HTT
SCHEMBL3621612 0.91 NPSR1 (0.46) NR1H3RORCNPSR1MEN1HTT
SCHEMBL3621618 0.91 NPSR1 (0.46) NR1H3RORCNPSR1MEN1HTT
SCHEMBL15108517 0.90 MEN1 (0.46) NR1H3RORCNPSR1MEN1HTT
SCHEMBL15108530 0.90 MEN1 (0.46) NR1H3RORCNPSR1MEN1HTT

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 2/4885RORC 66/4885NPSR1 564/4885

“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.