SCHEMBL21939383

SCHEMBL21939383

CC(C)CN(c1ccc(Br)cc1N=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.41
▸ GPR119 Q8TDV5 14/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DPP4 P27487 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
SCHEMBL20306597 0.83 GPR119 (0.44) USP30GPR119MEN1KMT2ANPC1
SCHEMBL20322146 0.72 ALDH1A1 (0.43) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL20321733 0.72 ALDH1A1 (0.43) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL17803257 0.70 GPR119 (0.46) USP30GPR119MEN1KMT2A
SCHEMBL18319317 0.69 MEN1 (0.52) USP30GPR119MEN1KMT2A
SCHEMBL3842743 0.69 MEN1 (0.57) USP30GPR119MEN1KMT2A
SCHEMBL21597932 0.68 PIK3CD (0.51) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL7037004 0.68 CACNA1B (0.60) USP30GPR119MEN1KMT2ANPC1
SCHEMBL25967727 0.68 MEN1 (0.51) USP30GPR119MEN1KMT2A
SCHEMBL29965593 0.68 PDE4D (0.53) USP30GPR119DPP4

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-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-16 — — 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-20200115374-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT USP30 3006/4885GPR119 185/4885MEN1 3275/4885

“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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