SCHEMBL3621272

SCHEMBL3621272

O=C(Cc1ccccc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.58
ALDH1A1 P00352 4/20 0.51
RORC P51449 6/20 0.50
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
LMNA P02545 1/20 0.46
NR1H2 P55055 2/20 0.46
NR1I2 O75469 1/20 0.45
ROCK2 O75116 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3624100 0.92 NR1H3 (0.51) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL3625718 0.92 ALDH1A1 (0.49) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL3615126 0.91 RORC (0.55) NR1H3RORCNR1H2NR1I2
SCHEMBL3628809 0.91 NR1H3 (0.50) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL13317247 0.91 ALDH1A1 (0.51) NR1H3ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL3620198 0.90 NR1H3 (0.49) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL3617712 0.90 NR1H3 (0.49) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL3626787 0.90 NR1H3 (0.49) NR1H3ALDH1A1RORCMAPTSMN1; SMN2
SCHEMBL3626462 0.89 ALDH1A1 (0.49) NR1H3ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL3627249 0.89 NR1H3 (0.48) NR1H3ALDH1A1RORCMAPTSMN1; SMN2

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 2/4885ALDH1A1 2274/4885RORC 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.