SCHEMBL30055476

SCHEMBL30055476

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(C#N)c(Cl)c3)(C1)C2

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 0.77
▸ S1PR3 Q99500 1/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ AR P10275 1/20 0.39

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
SCHEMBL21496528 1.00 IDO1 (0.77) IDO1S1PR3KCNQ3KCNQ2KCNE1
SCHEMBL21496525 1.00 IDO1 (0.77) IDO1S1PR3KCNQ3KCNQ2KCNE1
SCHEMBL21496542 0.90 IDO1 (0.70) IDO1S1PR3
SCHEMBL21496543 0.90 IDO1 (0.70) IDO1S1PR3
SCHEMBL24118294 0.88 IDO1 (0.86) IDO1
SCHEMBL30056153 0.88 IDO1 (0.86) IDO1
SCHEMBL24118299 0.87 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496274 0.87 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496273 0.87 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30055286 0.87 IDO1 (1.00) 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 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 1/4885S1PR3 2373/4885KCNQ3 4162/4885

“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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