SCHEMBL30948280

SCHEMBL30948280

CC(CN1CCN(C2CCCC2)C(=O)C1=O)c1nnc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.50
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
IDH1 O75874 1/20 0.36
HSD11B1 P28845 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
SCHEMBL30947947 0.83 IL4I1 (0.57) IL4I1POLBHRH3LMNAIDH1
SCHEMBL30947924 0.83 IL4I1 (0.57) IL4I1POLBHRH3LMNAIDH1
SCHEMBL30948068 0.81 IL4I1 (0.60) IL4I1POLBHRH3IDH1
SCHEMBL30948278 0.81 IL4I1 (0.60) IL4I1POLBHRH3IDH1
SCHEMBL27163079 0.80 IL4I1 (0.74) IL4I1POLBHRH3TP53RXFP1
SCHEMBL30948164 0.78 IL4I1 (0.60) IL4I1POLBHRH3TP53RXFP1
SCHEMBL27163306 0.78 IL4I1 (0.77) IL4I1POLBHRH3TP53RXFP1
SCHEMBL30948287 0.76 IL4I1 (0.50) IL4I1POLBHRH3HSD11B1
SCHEMBL30947910 0.72 IL4I1 (0.60) IL4I1HRH3HSD11B1
SCHEMBL30948080 0.70 IL4I1 (0.58) IL4I1POLBTP53RXFP1LMNA

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 1/4885POLB 2929/4885HRH3 613/4885

“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.