SCHEMBL29639831

SCHEMBL29639831

CC(C(=O)Nc1ccc(F)cc1)C12CC(Nc3ncnc4ccc(F)cc34)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 17/20 1.00
▸ CYP3A4 P08684 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ USP10 Q14694 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ USP13 Q92995 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
SCHEMBL23572605 1.00 IDO1 (1.00) IDO1CYP3A4USP2LMNACYP1A2
SCHEMBL23572591 0.90 IDO1 (1.00) IDO1CYP3A4LMNACYP1A2CYP2D6
SCHEMBL29639850 0.90 IDO1 (1.00) IDO1CYP3A4LMNACYP1A2CYP2D6
SCHEMBL23572601 0.85 IDO1 (0.74) IDO1
SCHEMBL23572600 0.76 IDO1 (0.61) IDO1CYP2C9
SCHEMBL23271183 0.76 IDO1 (0.61) IDO1CYP1A2CYP2C19CYP2C9
SCHEMBL29639861 0.75 IDO1 (0.60) IDO1LMNATDO2
SCHEMBL23271191 0.75 IDO1 (0.60) IDO1LMNATDO2
SCHEMBL23572589 0.74 IDO1 (0.61) IDO1
SCHEMBL29639837 0.74 IDO1 (0.61) IDO1

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 2 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 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

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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885CYP3A4 842/4885USP2 2381/4885

“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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