SCHEMBL30948037

SCHEMBL30948037

O=c1c(=O)n(C2CCC2)ccn1Cc1cc(-c2ccccc2F)on1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.74
ACKR3 P25106 7/20 0.43
SCD5 Q86SK9 1/20 0.35
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30948141 0.98 IL4I1 (0.70) IL4I1ACKR3SCD5MAPTRECQL
SCHEMBL30948255 0.85 IL4I1 (1.00) IL4I1SCD5HSD17B13NPC1RAB9A
SCHEMBL30948289 0.83 IL4I1 (0.80) IL4I1ACKR3MAPTHSD17B13NPC1
SCHEMBL30948077 0.82 IL4I1 (0.79) IL4I1SCD5HSD17B13
SCHEMBL30948066 0.82 IL4I1 (0.71) IL4I1ACKR3MAPTRECQLCYP3A4
SCHEMBL30948133 0.81 IL4I1 (0.74) IL4I1SCD5MAPTNPC1RAB9A
SCHEMBL30948142 0.80 IL4I1 (0.74) IL4I1ACKR3MAPTRECQLCYP3A4
SCHEMBL30948097 0.80 IL4I1 (0.70) IL4I1MAPTKCNH2
SCHEMBL30948047 0.79 IL4I1 (0.74) IL4I1
SCHEMBL30948216 0.78 IL4I1 (0.67) IL4I1HSD17B13NPC1RAB9A

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 1/4885ACKR3 1843/4885SCD5 4879/4885

“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.