SCHEMBL30948080

SCHEMBL30948080

O=C1C(=O)N(C2CCC2)CCN1Cc1cnc(-c2ccccc2)s1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.58
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
RXFP1 Q9HBX9 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
POLB P06746 1/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL30947995 0.88 IL4I1 (0.71) IL4I1HCRTR1HCRTR2RXFP1TP53
SCHEMBL30948113 0.87 IL4I1 (0.60) IL4I1RXFP1POLBTP53LMNA
SCHEMBL30947925 0.81 IL4I1 (0.47) IL4I1RXFP1POLBTP53LMNA
SCHEMBL27163306 0.81 IL4I1 (0.77) IL4I1RXFP1POLBTP53LMNA
SCHEMBL30948009 0.81 IL4I1 (0.59) IL4I1RXFP1POLBTP53
SCHEMBL30948019 0.81 IL4I1 (0.55) IL4I1RXFP1CYP11B1POLBTP53
SCHEMBL30948258 0.79 IL4I1 (0.74) IL4I1RXFP1POLBTP53LMNA
SCHEMBL27163079 0.79 IL4I1 (0.74) IL4I1RXFP1POLBTP53LMNA
SCHEMBL27163500 0.78 IL4I1 (0.58) IL4I1RXFP1CYP11B1POLBTP53
SCHEMBL30948254 0.77 IL4I1 (0.56) IL4I1RXFP1POLBTP53

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 1/4885HCRTR1 3838/4885HCRTR2 4549/4885

“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.