SCHEMBL24118239

SCHEMBL24118239

Cc1ccc(C(=O)NC23CC([C@@H](C)C(=O)Nc4ccc(F)cc4)(C2)C3)cc1F

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 0.84
▸ KCNQ3 O43525 2/20 0.44
▸ KCNQ2 O43526 2/20 0.44
▸ KCNE1 P15382 2/20 0.44
▸ KCNQ1 P51787 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KCNQ5 Q9NR82 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21504017 1.00 IDO1 (0.84) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30055192 0.92 IDO1 (0.84) IDO1MAPT
SCHEMBL21504027 0.92 IDO1 (0.84) IDO1MAPT
SCHEMBL21504016 0.92 IDO1 (0.84) IDO1MAPT
SCHEMBL30056908 0.92 IDO1 (0.84) IDO1MAPT
SCHEMBL24117963 0.91 IDO1 (1.00) IDO1KCNQ3KCNQ2
SCHEMBL24118078 0.91 IDO1 (1.00) IDO1KCNQ3KCNQ2
SCHEMBL24117927 0.90 IDO1 (0.83) IDO1TP53MAPTSMN1; SMN2
SCHEMBL24118298 0.90 IDO1 (0.83) IDO1TP53MAPTSMN1; SMN2
SCHEMBL21496396 0.88 IDO1 (0.85) IDO1KCNQ3KCNQ2KCNE1KCNQ1

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
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 1/4885KCNQ3 4162/4885KCNQ2 3812/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885KCNQ3 4341/4885KCNQ2 4068/4885

“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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