SCHEMBL30948131

SCHEMBL30948131

O=C1C(=O)N(C2CC3CC3C2)CCN1Cc1nnc(-c2cccc(F)c2)s1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.80
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.39
PDE4A P27815 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
S1PR1 P21453 2/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL30948276 0.89 IL4I1 (1.00) IL4I1HRH3KDM4EPDE4ARXFP1
SCHEMBL30947957 0.89 IL4I1 (0.96) IL4I1HRH3KDM4EPDE4ARXFP1
SCHEMBL30948160 0.88 IL4I1 (0.62) IL4I1HRH3PDE4ARXFP1LMNA
SCHEMBL30947971 0.88 IL4I1 (0.61) IL4I1HRH3RXFP1LMNA
SCHEMBL30948310 0.84 IL4I1 (0.56) IL4I1HRH3KDM4ERXFP1HSD17B13
SCHEMBL30948225 0.84 IL4I1 (0.62) IL4I1HRH3PDE4ARXFP1LMNA
SCHEMBL30947926 0.81 IL4I1 (0.63) IL4I1HRH3RXFP1LMNA
SCHEMBL30948340 0.79 IL4I1 (0.60) IL4I1HRH3RXFP1HSD17B13
SCHEMBL27163770 0.78 IL4I1 (0.66) IL4I1HRH3KDM4ES1PR1MEN1
SCHEMBL30948085 0.76 IL4I1 (0.78) IL4I1HRH3PDE4ARXFP1LMNA

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 1/4885HRH3 613/4885KDM4E 1134/4885

“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.