SCHEMBL30548544

SCHEMBL30548544

CC(=O)N1CC(F)(F)C(F)(F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 2/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CHRNB4 P30926 2/20 0.34
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2760456 0.83
SCHEMBL14297362 0.81
SCHEMBL26620407 0.77 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2TDP1KDM4EEPHX2
SCHEMBL30327046 0.75 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2TDP1EPHX2USP2
SCHEMBL23075806 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1KDM4EEPHX2
SCHEMBL18711508 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1KDM4EEPHX2
SCHEMBL30327233 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1KDM4EEPHX2
SCHEMBL23077805 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1DPP4KDM4E
SCHEMBL30327306 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2TDP1KDM4EEPHX2
SCHEMBL12869368 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271951-A1 DIFLUOROCYCLOHEXYL DERIVATIVES AS IL-17 MODULATORS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2023-08-31 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-20230271951-A1 DIFLUOROCYCLOHEXYL DERIVATIVES AS IL-17 MODULATORS IL17A, IL2, IL23R SMN1; SMN2 3572/4885CYP1A2 1040/4885TDP1 3658/4885

“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.