SCHEMBL21504302

SCHEMBL21504302

Cc1cncc(C(=O)NC23CC(C(C)C(=O)Nc4ccc(F)cc4)(C2)C3)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 0.68
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EIF2S1 P05198 1/20 0.38
▸ EIF2AK3 Q9NZJ5 1/20 0.38

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
SCHEMBL21504029 0.89 IDO1 (0.76) IDO1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21504265 0.87 IDO1 (0.64) IDO1
SCHEMBL24118609 0.85 IDO1 (0.73) IDO1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21496435 0.85 IDO1 (0.73) IDO1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21496434 0.85 IDO1 (0.73) IDO1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21496346 0.84 IDO1 (0.68) IDO1MEN1CYP2C19KMT2A
SCHEMBL30057665 0.84 IDO1 (0.68) IDO1MEN1CYP2C19KMT2A
SCHEMBL30055982 0.84 IDO1 (0.85) IDO1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30056917 0.82 IDO1 (0.69) IDO1
SCHEMBL30056914 0.82 IDO1 (0.74) 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 3 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 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
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 (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 1/4885SCN10A 3525/4885CHRNB2 1665/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885SCN10A 3318/4885CHRNB2 1299/4885

“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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