SCHEMBL30948343

SCHEMBL30948343

O=C1C(=O)N(C2C[C@@H]3C[C@@H]3C2)CCN1Cc1ccc(-c2ccccc2F)nn1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.79
RXFP1 Q9HBX9 1/20 0.39
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 4/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 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
SCHEMBL30948018 1.00 IL4I1 (0.79) IL4I1RXFP1KCNH2LMNACHRM2
SCHEMBL27163127 0.91 IL4I1 (0.77) IL4I1RXFP1KCNH2LMNATP53
SCHEMBL27163220 0.88 IL4I1 (1.00) IL4I1RXFP1KCNH2LMNATP53
SCHEMBL30948288 0.88 IL4I1 (0.96) IL4I1RXFP1KCNH2LMNATP53
SCHEMBL30046257 0.88 IL4I1 (1.00) IL4I1RXFP1KCNH2LMNATP53
SCHEMBL27163156 0.88 IL4I1 (0.80) IL4I1RXFP1KCNH2LMNACHRM4
SCHEMBL30948361 0.86 IL4I1 (0.66) IL4I1RXFP1TP53POLB
SCHEMBL30948114 0.85 IL4I1 (0.70) IL4I1RXFP1KCNH2LMNACHRM2
SCHEMBL30948012 0.80 IL4I1 (0.84) IL4I1RXFP1LMNATP53P2RX7
SCHEMBL30948236 0.79 IL4I1 (0.63) IL4I1RXFP1LMNATP53POLB

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 1/4885RXFP1 1354/4885KCNH2 2998/4885

“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.