SCHEMBL30860903

SCHEMBL30860903

CC(C)(C)OC(=O)Nc1c(F)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
ATR Q13535 6/20 0.36
KRAS P01116 1/20 0.34
SCN9A Q15858 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
RORC P51449 3/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL30860912 0.89 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27228287 0.84 RXRA (0.49) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30860795 0.82 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29135801 0.78 RXRA (0.52) RXRARXRBRXRGATRRORC
SCHEMBL31105951 0.78 LCK (0.43) ATR
SCHEMBL30860888 0.78 MAOB (0.40) ATRSCN9AEGLN2
SCHEMBL30797598 0.77 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27378131 0.77 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL23611691 0.77 OPRM1 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31093772 0.76 CYP4F2 (0.37) CYP4F2CYP4A11ATRKRASSCN9A

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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 RXRA 4745/4885RXRB 4668/4885RXRG 4700/4885

“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.