SCHEMBL30056397

SCHEMBL30056397

C[C@@H](C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 1.00
▸ FPR2 P25090 2/20 0.46
▸ GRM5 P41594 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL21504226 1.00 IDO1 (1.00) IDO1FPR2GRM5NPC1RAB9A
SCHEMBL30056253 1.00 IDO1 (1.00) IDO1FPR2GRM5NPC1RAB9A
SCHEMBL21496407 0.93 IDO1 (1.00) IDO1
SCHEMBL21496489 0.88 IDO1 (1.00) IDO1
SCHEMBL30056074 0.88 IDO1 (0.80) IDO1FPR2GRM5SMN1; SMN2
SCHEMBL24118599 0.88 IDO1 (1.00) IDO1
SCHEMBL21496359 0.88 IDO1 (0.80) IDO1FPR2GRM5SMN1; SMN2
SCHEMBL30055973 0.88 IDO1 (1.00) IDO1
SCHEMBL24117923 0.88 IDO1 (0.78) IDO1GRM5
SCHEMBL24117918 0.81 IDO1 (0.69) IDO1FPR2GRM5NPC1RAB9A

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 1/4885FPR2 1585/4885GRM5 849/4885

“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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