SCHEMBL30055656

SCHEMBL30055656

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cc(F)cc(Cl)c3)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 16/20 1.00
▸ GPR139 Q6DWJ6 1/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21496281 1.00 IDO1 (1.00) IDO1GPR139KLK7MAPTRECQL
SCHEMBL21496280 1.00 IDO1 (1.00) IDO1GPR139KLK7MAPTRECQL
SCHEMBL24118061 1.00 IDO1 (1.00) IDO1GPR139KLK7MAPTRECQL
SCHEMBL30055982 0.92 IDO1 (0.85) IDO1MAPTRECQL
SCHEMBL21504033 0.90 IDO1 (0.81) IDO1MAPTRECQL
SCHEMBL21496407 0.88 IDO1 (1.00) IDO1
SCHEMBL21504029 0.87 IDO1 (0.76) IDO1SMN1; SMN2
SCHEMBL21496274 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL24118299 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL21496273 0.86 IDO1 (1.00) IDO1SMN1; SMN2

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 1/4885GPR139 2342/4885KLK7 4150/4885

“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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