SCHEMBL30947934

SCHEMBL30947934

O=c1c(=O)n(C2CC3CC3C2)ccn1Cc1ccc(-c2ccccc2F)nn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.55
KCNH2 Q12809 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ACHE P22303 1/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
NPY5R Q15761 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL30948097 0.88 IL4I1 (0.70) IL4I1KCNH2CHRM2CHRM4ACHE
SCHEMBL30947966 0.88 IL4I1 (0.67) IL4I1KCNH2CHRM2CHRM4ACHE
SCHEMBL30948249 0.85 IL4I1 (0.49) IL4I1CYP11B1CYP11B2
SCHEMBL30948021 0.80 IL4I1 (0.59) IL4I1KCNH2LMNAPOLB
SCHEMBL30948371 0.79 IL4I1 (0.61) IL4I1LMNATHRBPOLB
SCHEMBL27163651 0.79 IL4I1 (0.42) IL4I1KCNH2CHRM4CYP11B1CYP11B2
SCHEMBL30948003 0.78 IL4I1 (0.40) IL4I1THRB
SCHEMBL30948241 0.77 IL4I1 (0.51) IL4I1KCNH2CHRM2CHRM4ACHE
SCHEMBL30948219 0.77 IL4I1 (0.57) IL4I1LMNATHRBPOLB
SCHEMBL30948343 0.76 IL4I1 (0.79) IL4I1KCNH2CHRM2CHRM4ACHE

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 1/4885KCNH2 2998/4885CHRM2 4271/4885

“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.