SCHEMBL30055628

SCHEMBL30055628

CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(C(F)(F)F)cn3)(C1)C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.64
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BACE1 P56817 2/20 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
SCHEMBL21496334 1.00 IDO1 (0.64) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL24118631 1.00 IDO1 (0.64) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL29639839 0.85 IDO1 (0.56) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL23572590 0.85 IDO1 (0.56) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL30057681 0.84 IDO1 (0.72) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL24118289 0.84 IDO1 (0.72) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL24118309 0.82 IDO1 (0.74) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL30055468 0.82 IDO1 (0.74) IDO1NPC1ALDH1A1GAARAB9A
SCHEMBL21504265 0.82 IDO1 (0.64) IDO1
SCHEMBL21496357 0.80 IDO1 (0.66) 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 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 1/4885NPC1 1312/4885ALDH1A1 133/4885

“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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