SCHEMBL30056068

SCHEMBL30056068

CC(C(=O)Nc1ccc(Cl)nc1)C12CC(NC(=O)c3ccc4c(c3)CC4)(C1)C2

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 11/20 0.75
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNQ3 O43525 7/20 0.46
▸ KCNQ2 O43526 7/20 0.46
▸ KCNE1 P15382 5/20 0.44
▸ KCNQ1 P51787 5/20 0.44
▸ BACE1 P56817 1/20 0.43

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
SCHEMBL24118219 1.00 IDO1 (0.75) IDO1MAPTRAB9ASMN1; SMN2KCNQ3
SCHEMBL24117916 0.88 IDO1 (0.77) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30055204 0.88 IDO1 (0.77) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496489 0.85 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24118599 0.85 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30055973 0.85 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21504021 0.83 IDO1 (0.70) IDO1MAPTRAB9ASMN1; SMN2KCNQ3
SCHEMBL23572577 0.79 IDO1 (0.69) IDO1MAPTRAB9AKCNQ3KCNQ2
SCHEMBL29639835 0.79 IDO1 (0.69) IDO1MAPTRAB9AKCNQ3KCNQ2
SCHEMBL21496437 0.78 IDO1 (0.66) IDO1MAPTRAB9AKCNQ3KCNQ2

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 1 patent. 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

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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885MAPT 1461/4885RAB9A 2982/4885

“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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