SCHEMBL20101869

SCHEMBL20101869

C[C@H](N)c1ccc(OCC2CN(BC=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.37
▸ ACACB O00763 14/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PARP15 Q460N3 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35

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
SCHEMBL17246825 0.76 PARP15 (0.51) ACACBFFAR1PARP15PARP10
SCHEMBL7601081 0.76 PARP15 (0.51) ACACBFFAR1PARP15PARP10
SCHEMBL19876587 0.76 PARP15 (0.51) ACACBFFAR1PARP15PARP10
SCHEMBL20101854 0.74 NAAA (0.40) —
SCHEMBL20969565 0.73 PARP10 (0.56) FFAR1PARP15PARP10
SCHEMBL20969688 0.73 PARP15 (0.54) FFAR1PARP15PARP10
SCHEMBL18459838 0.72 SLC5A1 (0.45) ACACB
SCHEMBL18459837 0.72 SLC5A1 (0.45) ACACB
SCHEMBL20101851 0.71 NAAA (0.41) —
SCHEMBL15431280 0.68 DRD4 (0.46) —

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-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2018-05-03 — — 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-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS IDH1, IDH3A, IDH3B GRM2 1489/4885ACACB 1953/4885FFAR1 3916/4885

“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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