SCHEMBL12232268

SCHEMBL12232268

C[C@@H]1CN(C(=O)CNc2ccc3[nH]c(=O)oc3c2)CCN1c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL12232979 0.88 GRIN2D (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12232270 0.88 ADAMTS5 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232262 0.87 PIK3CA (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12233768 0.86 ADAMTS5 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232504 0.86 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232781 0.85 ADAMTS5 (0.47) —
SCHEMBL12233795 0.85 MAPT (0.46) MAPTMAPK1SMN1; SMN2
SCHEMBL12232757 0.85 ADAMTS5 (0.49) —
SCHEMBL12232266 0.85 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232770 0.85 ADAMTS5 (0.53) —

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-20110251212-A1 PIPERAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2011-10-13 — — 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-20110251212-A1 PIPERAZINE DERIVATIVES GRIN2C, NR2C2, GRIN3A USP2 3624/4885MAPT 4089/4885MAPK1 2091/4885

“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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