SCHEMBL3471936

SCHEMBL3471936

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
NR3C2 P08235 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
SLC6A7 Q99884 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 1/20 0.40
PTGS1 P23219 1/20 0.40
CNR1 P21554 2/20 0.40
MAPT P10636 2/20 0.40
MGLL Q99685 1/20 0.40
SMPD1 P17405 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL3474117 0.90 RXRA (0.53) RXRANR1H2NR1H3NR3C2SIGMAR1
SCHEMBL3474534 0.89 RXRA (0.50) RXRANR1H2NR1H3NR3C2SIGMAR1
SCHEMBL3472549 0.88 RXRA (0.56) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3470736 0.88 RXRA (0.56) RXRANR1H2NR1H3NR3C2SLC6A7
SCHEMBL3472038 0.87 RXRA (0.58) RXRANR1H2NR1H3NR3C2SLC6A7
SCHEMBL3471233 0.87 RXRA (0.56) RXRANR1H2NR1H3NR3C2SLC6A7
SCHEMBL3473198 0.87 RXRA (0.55) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472085 0.86 RXRA (0.53) RXRANR1H2NR1H3NR3C2SLC6A7
SCHEMBL3475489 0.86 RXRA (0.47) RXRANR1H2NR1H3NR3C2SIGMAR1
SCHEMBL3471685 0.85 RXRA (0.55) RXRANR1H2NR1H3NR3C2SIGMAR1

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.