SCHEMBL387438

SCHEMBL387438

CCC(=O)Nc1ccnc(N2CCN(C(=O)OCC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
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
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
WNT3A P56704 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
IDE P14735 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
OPRD1 P41143 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
SCHEMBL388764 0.90 GRIN2D (0.49) KDM4EHPGDGRIN2DGRIN3BGRIN1
SCHEMBL387328 0.88 GRIN2D (0.47) KDM4EHPGDGRIN2DGRIN3BGRIN1
SCHEMBL14340961 0.84 MAPT (0.49) KDM4EHPGDKMT2ASMN1; SMN2IDE
SCHEMBL390651 0.81 NOS1 (0.49) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL390540 0.80 OPRD1 (0.57) HPGDSMN1; SMN2IDEOPRD1KCNH2
SCHEMBL390338 0.80 HRH3 (0.56) KDM4EHPGDKMT2ASMN1; SMN2OPRD1
SCHEMBL390619 0.79 HRH3 (0.56) KDM4EHPGDSMN1; SMN2IDEOPRD1
SCHEMBL390340 0.79 HRH3 (0.54) KDM4EHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL4187340 0.79 CYP2D6 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10167993 0.78 HPGD (0.42) HPGDSMN1; SMN2IDEOPRD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C KDM4E 3756/4885HPGD 2246/4885GRIN2D 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.