SCHEMBL30055209

SCHEMBL30055209

Cc1ccnc(C(=O)NC23CC(C(C)C(=O)Nc4ccc(F)cc4)(C2)C3)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ANO1 Q5XXA6 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL24118368 1.00 IDO1 (0.63) IDO1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL21496414 0.89 IDO1 (0.69) IDO1NPC1RAB9AANO1
SCHEMBL21496282 0.87 IDO1 (0.60) IDO1ANO1MEN1KMT2A
SCHEMBL30055468 0.85 IDO1 (0.74) IDO1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL24118309 0.85 IDO1 (0.74) IDO1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL21504298 0.82 IDO1 (0.67) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21496347 0.82 IDO1 (0.67) IDO1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21504035 0.82 IDO1 (0.61) IDO1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL21496277 0.82 IDO1 (0.66) IDO1NPC1RAB9AGAAMEN1
SCHEMBL21496330 0.81 IDO1 (0.67) IDO1KMT2A

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 1/4885SMN1; SMN2 1948/4885NPC1 1312/4885

“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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