SCHEMBL3621615

SCHEMBL3621615

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1H3 Q13133 5/20 0.45
LMNA P02545 2/20 0.43
NOTUM Q6P988 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
RIPK1 Q13546 2/20 0.41
MTTP P55157 2/20 0.39
RORC P51449 1/20 0.39
GRM7 Q14831 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3621618 1.00 NPSR1 (0.46) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL3621612 1.00 NPSR1 (0.46) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL3626532 0.91 NR1H3 (0.56) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL3619551 0.91 NR1H3 (0.56) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317244 0.91 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317250 0.91 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317252 0.91 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL3619548 0.91 NR1H3 (0.56) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL15108517 0.89 MEN1 (0.46) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL15108530 0.89 MEN1 (0.46) NPSR1HTTMEN1KMT2ANR1H3

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 5 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
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

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 NPSR1 564/4885HTT 4381/4885MEN1 3861/4885

“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.