SCHEMBL21496282

SCHEMBL21496282

CCc1ccnc(C(=O)NC23CC(C(C)C(=O)Nc4ccc(F)cc4)(C2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.60
▸ ANO1 Q5XXA6 4/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL24118368 0.87 IDO1 (0.63) IDO1ANO1MEN1KMT2A
SCHEMBL30055209 0.87 IDO1 (0.63) IDO1ANO1MEN1KMT2A
SCHEMBL21496414 0.86 IDO1 (0.69) IDO1ANO1
SCHEMBL24118309 0.83 IDO1 (0.74) IDO1MAPT
SCHEMBL30055468 0.83 IDO1 (0.74) IDO1MAPT
SCHEMBL24118622 0.82 IDO1 (0.62) IDO1MEN1MAPTKMT2A
SCHEMBL21496347 0.80 IDO1 (0.67) IDO1MAPT
SCHEMBL21504298 0.80 IDO1 (0.67) IDO1MAPT
SCHEMBL24118289 0.77 IDO1 (0.72) IDO1MAPT
SCHEMBL21496277 0.77 IDO1 (0.66) 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 7 patents. 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 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 claimed
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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 — — US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885ANO1 2230/4885SMYD3 2582/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885ANO1 2632/4885SMYD3 2756/4885

“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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