SCHEMBL390397

SCHEMBL390397

COCc1nc(-c2ccnc(N3CCN(C(=O)CCC(C)(C)C)CC3)n2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
MMP2 P08253 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 3/20 0.38
PANK3 Q9H999 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL387763 0.85 DGAT1 (0.41) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL390566 0.84 MAPT (0.46) MAPTATMLMNAALDH1A1TSHR
SCHEMBL389707 0.82
SCHEMBL388867 0.81 PANK3 (0.38) MAPTLMNAALDH1A1TSHRHTT
SCHEMBL14340909 0.78 PANK3 (0.38) MAPTLMNAALDH1A1TSHRHTT
SCHEMBL391824 0.73 MAPT (0.45) MAPTATMLMNAALDH1A1TSHR
SCHEMBL14340774 0.72 RAB9A (0.41) MAPTLMNAALDH1A1TSHRHTT
SCHEMBL388445 0.72 LMNA (0.48) MAPTATMLMNAALDH1A1TSHR
SCHEMBL387209 0.71 PANK3 (0.54) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL10168035 0.71 PANK3 (0.45) MAPTLMNAALDH1A1TSHRHTT

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 9 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-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
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

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 MAPT 3502/4885ATM 2994/4885LMNA 4724/4885

“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.