SCHEMBL3626841

SCHEMBL3626841

O=C(c1ccccc1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.61
RAB9A P51151 1/20 0.57
AVPR2 P30518 7/20 0.53
AVPR1A P37288 5/20 0.53
OXTR P30559 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RORC P51449 1/20 0.53
MLYCD O95822 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NR1H2 P55055 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL13317259 0.91 RAB9A (0.57) NR1H3RAB9AAVPR2AVPR1AOXTR
SCHEMBL3615173 0.89 ALDH1A1 (0.60) NR1H3RAB9AAVPR2AVPR1AOXTR
SCHEMBL3618289 0.88 NR1H3 (0.51) NR1H3ALDH1A1LMNANR1H2
SCHEMBL3618178 0.87 POLB (0.59) NR1H3RAB9AAVPR2AVPR1AOXTR
SCHEMBL3625560 0.84 NR1H3 (0.49) NR1H3RAB9AAVPR2AVPR1AOXTR
SCHEMBL3626671 0.84 NR1H3 (0.53) NR1H3RORCNR1H2
SCHEMBL3621272 0.83 NR1H3 (0.58) NR1H3RAB9AALDH1A1RORCLMNA
SCHEMBL3626538 0.83 NR1H3 (0.58) NR1H3RAB9AALDH1A1RORCMLYCD
SCHEMBL3627809 0.83 NR1H3 (0.53) NR1H3RORCNR1H2
SCHEMBL3627747 0.83 NR1H3 (0.58) NR1H3RAB9AALDH1A1RORCLMNA

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-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
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 2/4885RAB9A 2285/4885AVPR2 1976/4885

“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.