SCHEMBL30948042

SCHEMBL30948042

CC1(N2CCN(Cc3cc(-c4cccc(F)c4)no3)C(=O)C2=O)CCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 5/20 0.50
EPHX2 P34913 2/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.37
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
KCNH2 Q12809 2/20 0.35
GRM2 Q14416 1/20 0.35
PGR P06401 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL30948081 0.89 IL4I1 (0.50) IL4I1EPHX2MAPTSMN1; SMN2CA12
SCHEMBL30948059 0.79 IL4I1 (0.76) IL4I1EPHX2MAPTSMN1; SMN2KCNH2
SCHEMBL30948229 0.79 IL4I1 (0.79) IL4I1EPHX2MAPTSMN1; SMN2KCNH2
SCHEMBL30948223 0.78 IL4I1 (0.52) IL4I1EPHX2MAPTSMN1; SMN2HSD17B13
SCHEMBL30947992 0.76 IL4I1 (0.59) IL4I1MAPTSMN1; SMN2CA12CA9
SCHEMBL30948008 0.73 IL4I1 (0.46) IL4I1SMN1; SMN2HSD17B13HRH3DRD3
SCHEMBL30948375 0.72 IL4I1 (0.64) IL4I1MAPTSMN1; SMN2CA12CA9
SCHEMBL30948248 0.71 IL4I1 (0.48) IL4I1MAPTSMN1; SMN2CA12CA9
SCHEMBL30948169 0.67 IL4I1 (0.48) IL4I1HSD17B13HRH3
SCHEMBL30947922 0.67 IL4I1 (0.96) IL4I1MAPTSMN1; SMN2CA12CA9

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885EPHX2 3776/4885MAPT 3067/4885

“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.