SCHEMBL12233834

SCHEMBL12233834

Cn1c(=O)[nH]c2ccc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.48
▸ GRIN3B O60391 2/20 0.48
▸ GRIN1 Q05586 2/20 0.48
▸ GRIN2A Q12879 2/20 0.48
▸ GRIN2B Q13224 2/20 0.48
▸ GRIN2C Q14957 2/20 0.48
▸ GRIN3A Q8TCU5 2/20 0.48
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL12232283 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MAPT
SCHEMBL12232282 0.88 MMP2 (0.42) —
SCHEMBL12232286 0.87 CHRNA7 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232279 0.85 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232808 0.83 MAPT (0.61) KDM4ELMNASMN1; SMN2CA2MAPT
SCHEMBL12232280 0.83 KMT2A (0.48) HTR1ALMNASMN1; SMN2MAPT
SCHEMBL12508252 0.82 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232809 0.82 SLC1A2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12232311 0.80 KCNH2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508969 0.80 GRIN1 (0.57) 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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