SCHEMBL30056065

SCHEMBL30056065

CC(C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc4cnccc34)(C1)C2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.66
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CSNK1D P48730 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ TRPV1 Q8NER1 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL21496401 1.00 IDO1 (0.66) IDO1MEN1ALDH1A1MAPTTHRB
SCHEMBL24117968 0.94 IDO1 (0.65) IDO1MEN1ALDH1A1MAPTTHRB
SCHEMBL21496395 0.94 IDO1 (0.65) IDO1MEN1ALDH1A1MAPTTHRB
SCHEMBL21496346 0.81 IDO1 (0.68) IDO1MEN1ALDH1A1HTTKMT2A
SCHEMBL30057665 0.81 IDO1 (0.68) IDO1MEN1ALDH1A1HTTKMT2A
SCHEMBL21496285 0.79 IDO1 (1.00) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL30055680 0.79 IDO1 (1.00) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL24118301 0.79 IDO1 (1.00) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL21496286 0.79 IDO1 (1.00) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL24118331 0.79 IDO1 (0.83) IDO1MEN1ALDH1A1MAPTTHRB

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 1/4885MEN1 1030/4885ALDH1A1 133/4885

“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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