SCHEMBL387763

SCHEMBL387763

Cc1nc(-c2ccnc(N3CCN(C(=O)CCC(C)(C)C)CC3)n2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
PANK3 Q9H999 1/20 0.41
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
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SLC6A7 Q99884 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTR7 P34969 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL389707 0.86
SCHEMBL390397 0.85 MAPT (0.41) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL388867 0.85 PANK3 (0.38) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL389151 0.82 SMO (0.46) DGAT1KDM4EHTTLMNASMN1; SMN2
SCHEMBL14340774 0.78 RAB9A (0.41) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL10168035 0.74 PANK3 (0.45) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL387209 0.74 PANK3 (0.54) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL14340909 0.72 PANK3 (0.38) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL387218 0.72 PANK3 (0.43) PANK3RAB9AMEN1PSMD14MMP2
SCHEMBL387217 0.72 PANK3 (0.43) PANK3RAB9AMEN1PSMD14MMP2

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 DGAT1 1884/4885PANK3 3436/4885RAB9A 1872/4885

“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.