SCHEMBL3471233

SCHEMBL3471233

CN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
NR1H2 P55055 3/20 0.56
NR1H3 Q13133 3/20 0.56
NR3C2 P08235 1/20 0.49
POLB P06746 2/20 0.48
KCNH2 Q12809 2/20 0.48
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MGLL Q99685 1/20 0.45
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
RARG P13631 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL3471325 0.96 RXRA (0.52) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3472038 0.92 RXRA (0.58) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3470736 0.91 RXRA (0.56) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3472549 0.91 RXRA (0.56) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3473198 0.90 RXRA (0.55) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3474117 0.90 RXRA (0.53) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3472085 0.90 RXRA (0.53) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3473845 0.89 RXRA (0.47) RXRANR1H2NR1H3NR3C2POLB
SCHEMBL3474534 0.89 RXRA (0.50) RXRANR1H2NR1H3NR3C2SMN1; SMN2
SCHEMBL3472836 0.88 RXRA (0.53) RXRANR1H2NR1H3NR3C2KCNH2

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 8 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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
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
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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.