SCHEMBL30056965

SCHEMBL30056965

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)Nc3cccc(Cl)c3)(C1)C2

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.74
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CNR1 P21554 1/20 0.46

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
SCHEMBL30057673 0.88 IDO1 (0.76) IDO1RAB9AMEN1KMT2A
SCHEMBL24118278 0.88 IDO1 (0.76) IDO1RAB9AMEN1KMT2A
SCHEMBL21496552 0.88 IDO1 (0.73) IDO1MEN1KMT2A
SCHEMBL21496551 0.88 IDO1 (0.73) IDO1MEN1KMT2A
SCHEMBL30056167 0.87 IDO1 (0.74) IDO1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21496550 0.86 IDO1 (0.58) IDO1RAB9AMEN1KMT2A
SCHEMBL21496549 0.86 IDO1 (0.58) IDO1RAB9AMEN1KMT2A
SCHEMBL30054864 0.86 IDO1 (0.58) IDO1RAB9AMEN1KMT2A
SCHEMBL21496407 0.85 IDO1 (1.00) IDO1
SCHEMBL24118263 0.83 IDO1 (0.55) IDO1RAB9AMEN1KMT2AALDH1A1

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 1/4885RAB9A 2982/4885MEN1 1030/4885

“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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