SCHEMBL21496467

SCHEMBL21496467

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc4cccnc4c3)(C1)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.68
▸ EGLN1 Q9GZT9 1/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRNA7 P36544 2/20 0.40

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
SCHEMBL21496468 1.00 IDO1 (0.68) IDO1EGLN1TRPM8MEN1KMT2A
SCHEMBL24118615 1.00 IDO1 (0.68) IDO1EGLN1TRPM8MEN1KMT2A
SCHEMBL21496353 0.86 IDO1 (0.76) IDO1
SCHEMBL21496351 0.86 IDO1 (0.76) IDO1
SCHEMBL24118285 0.83 IDO1 (0.50) IDO1TRPM8
SCHEMBL24117963 0.81 IDO1 (1.00) IDO1
SCHEMBL24118078 0.81 IDO1 (1.00) IDO1
SCHEMBL21496393 0.81 IDO1 (0.63) IDO1
SCHEMBL21496346 0.81 IDO1 (0.68) IDO1MEN1KMT2A
SCHEMBL30057665 0.81 IDO1 (0.68) IDO1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781142-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp&Dohme Corp. (US) 2021-02-24 — — EP claimed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — WO claimed
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — US disclosed
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — WO 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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885EGLN1 1427/4885TRPM8 3099/4885

“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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