SCHEMBL30056074

SCHEMBL30056074

CC(C(=O)Nc1ccc(Cl)c(F)c1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.80
▸ FPR2 P25090 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL21496359 1.00 IDO1 (0.80) IDO1FPR2GRM5CYP1A2CYP3A4
SCHEMBL21496407 0.89 IDO1 (1.00) IDO1
SCHEMBL21504226 0.88 IDO1 (1.00) IDO1FPR2GRM5SMN1; SMN2
SCHEMBL30056397 0.88 IDO1 (1.00) IDO1FPR2GRM5SMN1; SMN2
SCHEMBL30056253 0.88 IDO1 (1.00) IDO1FPR2GRM5SMN1; SMN2
SCHEMBL21496511 0.86 IDO1 (0.76) IDO1HTR2B
SCHEMBL30055491 0.86 IDO1 (0.76) IDO1HTR2B
SCHEMBL21496521 0.86 IDO1 (0.76) IDO1HTR2B
SCHEMBL21496512 0.86 IDO1 (0.76) IDO1HTR2B
SCHEMBL30055271 0.86 IDO1 (0.76) IDO1HTR2B

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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