SCHEMBL30020512

SCHEMBL30020512

Brc1ccc(N2CCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.56
▸ GRIN3B O60391 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRIN2B Q13224 1/20 0.56
▸ GRIN2C Q14957 1/20 0.56
▸ GRIN3A Q8TCU5 1/20 0.56
▸ AKR1C3 P42330 1/20 0.54
▸ MAPT P10636 2/20 0.47
▸ UBE2T Q9NPD8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PANK3 Q9H999 1/20 0.45
▸ OGA O60502 1/20 0.45
▸ CNR2 P34972 8/20 0.44
▸ PDE10A Q9Y233 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR1 P21554 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
SCHEMBL742515 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6997406 0.98 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5238015 0.98 AKR1C3 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2255519 0.96 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31196073 0.94 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3573336 0.94 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5236585 0.91 AKR1C3 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2324130 0.88 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17863633 0.85 AKR1C3 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14167598 0.84 AKR1C3 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186065-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-10-05 — — WO disclosed
US-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 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-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH GRIN2D 3088/4885GRIN3B 4340/4885GRIN1 4055/4885

“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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