SCHEMBL30057673

SCHEMBL30057673

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)Nc3ccc(F)c(Cl)c3)(C1)C2

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.76
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ SLC2A1 P11166 1/20 0.47

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
SCHEMBL24118278 1.00 IDO1 (0.76) IDO1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30056167 0.90 IDO1 (0.74) IDO1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21496551 0.89 IDO1 (0.73) IDO1LMNAMEN1KMT2AMAPT
SCHEMBL21496552 0.89 IDO1 (0.73) IDO1LMNAMEN1KMT2AMAPT
SCHEMBL30056965 0.88 IDO1 (0.74) IDO1RAB9AMEN1KMT2A
SCHEMBL21496273 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL21496274 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL30055286 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL24118299 0.86 IDO1 (1.00) IDO1SMN1; SMN2
SCHEMBL24117951 0.81 IDO1 (0.67) IDO1RAB9ASMN1; SMN2MEN1KMT2A

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 1312/4885RAB9A 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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