SCHEMBL23271192

SCHEMBL23271192

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NCc3cccc(C(F)(F)F)c3)(C1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 13/20 0.52
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ S1PR2 O95136 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MTOR P42345 1/20 0.41

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
SCHEMBL23271193 1.00 IDO1 (0.52) IDO1MAPTALDH1A1HPGDNPSR1
SCHEMBL29639828 0.86 IDO1 (0.67) IDO1POLB
SCHEMBL23572581 0.86 IDO1 (0.67) IDO1POLB
SCHEMBL23572583 0.86 IDO1 (0.67) IDO1POLB
SCHEMBL23572592 0.83 L3MBTL1 (0.48) IDO1MAPTALDH1A1HPGDNPSR1
SCHEMBL23572594 0.83 L3MBTL1 (0.48) IDO1MAPTALDH1A1HPGDNPSR1
SCHEMBL21504287 0.83 IDO1 (0.52) IDO1MAPTALDH1A1HPGDNPSR1
SCHEMBL24118077 0.81 IDO1 (0.75) IDO1NPSR1
SCHEMBL24118231 0.81 IDO1 (0.75) IDO1NPSR1
SCHEMBL21496550 0.81 IDO1 (0.58) IDO1MAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810116-B1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP claimed
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — US claimed
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — US claimed
EP-3810116-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-04-28 — — EP claimed
EP-3810116-B1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — US disclosed
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — US disclosed
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — US disclosed
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — 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-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 IDO1 1/4885MAPT 1889/4885ALDH1A1 152/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885MAPT 1778/4885ALDH1A1 164/4885

“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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