SCHEMBL30056080

SCHEMBL30056080

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(C(F)(F)F)c3)(C1)C2

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 0.75
▸ PTGS1 P23219 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.46

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
SCHEMBL24118231 1.00 IDO1 (0.75) IDO1PTGS1NPSR1LMNATRPV4
SCHEMBL30055221 1.00 IDO1 (0.75) IDO1PTGS1NPSR1LMNATRPV4
SCHEMBL24118077 1.00 IDO1 (0.75) IDO1PTGS1NPSR1LMNATRPV4
SCHEMBL21504262 0.90 IDO1 (0.61) IDO1PTGS1NPSR1LMNATRPV4
SCHEMBL21504265 0.86 IDO1 (0.64) IDO1
SCHEMBL21496549 0.86 IDO1 (0.58) IDO1NPSR1LMNA
SCHEMBL21496550 0.86 IDO1 (0.58) IDO1NPSR1LMNA
SCHEMBL30054864 0.86 IDO1 (0.58) IDO1NPSR1LMNA
SCHEMBL21496407 0.86 IDO1 (1.00) IDO1
SCHEMBL24118308 0.85 IDO1 (0.71) IDO1

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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 — — 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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885PTGS1 113/4885NPSR1 1567/4885

“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.

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