SCHEMBL12232279

SCHEMBL12232279

C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)CCN1c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.44
▸ GRIN3B O60391 2/20 0.44
▸ GRIN1 Q05586 2/20 0.44
▸ GRIN2A Q12879 2/20 0.44
▸ GRIN2B Q13224 2/20 0.44
▸ GRIN2C Q14957 2/20 0.44
▸ GRIN3A Q8TCU5 2/20 0.44
▸ ADAMTS5 Q9UNA0 3/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 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
SCHEMBL12232500 0.90 ADAMTS5 (0.44) ADAMTS5MMP2
SCHEMBL12232812 0.90 ADAMTS5 (0.46) ADAMTS5MMP2LRRK2LMNAMAPT
SCHEMBL12232681 0.90 MMP2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12233834 0.85 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232799 0.85 ADAMTS5 (0.47) ADAMTS5MMP2MMP13DRD2DRD4
SCHEMBL12233006 0.84 LRRK2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232997 0.83 DRD2 (0.47) LRRK2LMNAMAPTDRD2DRD4
SCHEMBL12233013 0.83 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508527 0.82 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508768 0.82 GRIN2D (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 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 GRIN2D 25/4885GRIN3B 15/4885GRIN1 7/4885

“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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