SCHEMBL3620178

SCHEMBL3620178

O=C(c1ccco1)N1CCCCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
NR3C1 P04150 17/20 0.58
NR1H3 Q13133 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13317270 0.92 HTT (0.61) HTTNR3C1NPC1RAB9ATDP1
SCHEMBL3626841 0.82 NR1H3 (0.61) NR1H3RAB9A
SCHEMBL3625560 0.81 NR1H3 (0.49) NR3C1NR1H3RAB9ATDP1
SCHEMBL3626671 0.81 NR1H3 (0.53) NR1H3
SCHEMBL14537965 0.80 RORC (0.51) HTTNR3C1NR1H3NPC1RAB9A
SCHEMBL3621272 0.80 NR1H3 (0.58) NR1H3RAB9ATDP1
SCHEMBL3627809 0.80 NR1H3 (0.53) NR1H3
SCHEMBL11607914 0.79 NOTUM (0.64) NR1H3
SCHEMBL3615177 0.79 TSHR (0.61) NR1H3NPC1RAB9A
SCHEMBL3615173 0.78 ALDH1A1 (0.60) NR1H3RAB9A

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
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 HTT 4381/4885NR3C1 122/4885NR1H3 2/4885

“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.