SCHEMBL21496551

SCHEMBL21496551

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)Nc3ccc(F)cc3)(C1)C2

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.73
▸ EPHX2 P34913 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL21496552 1.00 IDO1 (0.73) IDO1EPHX2MAPTRECQLMEN1
SCHEMBL30056167 0.92 IDO1 (0.74) IDO1EPHX2MAPTRECQLMEN1
SCHEMBL21496364 0.89 IDO1 (0.73) IDO1MAPTRECQLMEN1CYP1A2
SCHEMBL23572598 0.89 IDO1 (0.73) IDO1MAPTRECQLMEN1CYP1A2
SCHEMBL21496365 0.89 IDO1 (0.73) IDO1MAPTRECQLMEN1CYP1A2
SCHEMBL30057673 0.89 IDO1 (0.76) IDO1MAPTMEN1KMT2ALMNA
SCHEMBL24118278 0.89 IDO1 (0.76) IDO1MAPTMEN1KMT2ALMNA
SCHEMBL30056965 0.88 IDO1 (0.74) IDO1MEN1KMT2A
SCHEMBL21496550 0.86 IDO1 (0.58) IDO1EPHX2MAPTMEN1KMT2A
SCHEMBL21496549 0.86 IDO1 (0.58) IDO1EPHX2MAPTMEN1KMT2A

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-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

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 1/4885EPHX2 941/4885MAPT 1461/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885EPHX2 805/4885MAPT 1865/4885

“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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