SCHEMBL30057094

SCHEMBL30057094

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(C(F)(F)F)n3)(C1)C2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.75
▸ P2RX7 Q99572 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CSNK1D P48730 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL21496540 1.00 IDO1 (0.75) IDO1P2RX7MAPTCSNK1DCSNK1E
SCHEMBL21496541 1.00 IDO1 (0.75) IDO1P2RX7MAPTCSNK1DCSNK1E
SCHEMBL24118627 0.87 IDO1 (0.80) IDO1MAPT
SCHEMBL30055212 0.87 IDO1 (0.80) IDO1MAPT
SCHEMBL21496352 0.86 IDO1 (1.00) IDO1MAPT
SCHEMBL21496354 0.86 IDO1 (1.00) IDO1MAPT
SCHEMBL24118186 0.86 IDO1 (1.00) IDO1MAPT
SCHEMBL23271162 0.84 IDO1 (0.56) IDO1
SCHEMBL29639833 0.84 IDO1 (0.56) IDO1
SCHEMBL21496325 0.82 IDO1 (0.72) IDO1MAPTIRAK4

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 1/4885P2RX7 2566/4885MAPT 1461/4885

“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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