SCHEMBL3474517

SCHEMBL3474517

CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
JAK2 O60674 1/20 0.49
PDK2 Q15119 1/20 0.47
NR3C2 P08235 1/20 0.45
HRH3 Q9Y5N1 5/20 0.45
JAK1 P23458 2/20 0.44
HDAC4 P56524 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.42
MCHR1 Q99705 1/20 0.42
ATR Q13535 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 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
SCHEMBL3473783 0.95 RXRA (0.52) MALT1RXRANR1H2NR1H3JAK2
SCHEMBL3473834 0.89 RXRA (0.47) MALT1RXRANR1H2NR1H3JAK2
SCHEMBL3472556 0.88 RXRA (0.51) RXRANR1H2NR1H3JAK2PDK2
SCHEMBL3471468 0.88 RXRA (0.51) RXRANR1H2NR1H3JAK2PDK2
SCHEMBL3473588 0.86 RXRA (0.52) RXRANR1H2NR1H3JAK2NR3C2
SCHEMBL3471228 0.85 RXRA (0.52) RXRANR1H2NR1H3NR3C2
SCHEMBL3471917 0.85 RXRA (0.49) RXRANR1H2NR1H3JAK2PDK2
SCHEMBL3471359 0.85 RXRA (0.49) RXRANR1H2NR1H3JAK2PDK2
SCHEMBL3473063 0.85 RXRA (0.49) RXRANR1H2NR1H3JAK2PDK2
SCHEMBL4599695 0.84 RXRA (0.47) RXRANR1H2NR1H3NR3C2HDAC4

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 MALT1 2992/4885RXRA 18/4885NR1H2 1/4885

“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.