SCHEMBL3473783

SCHEMBL3473783

CN(C)C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
HDAC4 P56524 2/20 0.49
L3MBTL3 Q96JM7 2/20 0.49
NR3C2 P08235 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
MKNK1 Q9BUB5 4/20 0.43
MKNK2 Q9HBH9 4/20 0.43
EIF4E P06730 2/20 0.43
KCNH2 Q12809 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
CACNB4 O00305 3/20 0.41
CACNA1A O00555 3/20 0.41
CACNA1G O43497 3/20 0.41
CACNG3 O60359 3/20 0.41
CACNA1F O60840 3/20 0.41
CACNA1H O95180 3/20 0.41
CACNB3 P54284 3/20 0.41

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
SCHEMBL3474517 0.95 MALT1 (0.52) RXRANR1H2NR1H3HDAC4L3MBTL3
SCHEMBL3473588 0.90 RXRA (0.52) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3471228 0.89 RXRA (0.52) RXRANR1H2NR1H3NR3C2
SCHEMBL3470736 0.88 RXRA (0.56) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3472549 0.88 RXRA (0.56) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3473811 0.88 RXRA (0.51) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3472038 0.87 RXRA (0.58) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3472082 0.87 RXRA (0.53) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3471233 0.87 RXRA (0.56) RXRANR1H2NR1H3HDAC4NR3C2
SCHEMBL3473198 0.87 RXRA (0.55) RXRANR1H2NR1H3HDAC4NR3C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 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.