SCHEMBL387209

SCHEMBL387209

CC(C)(C)CCC(=O)N1CCN(c2nccc(C#N)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 3/20 0.54
MEN1 O00255 1/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM2 P08172 1/20 0.42
KDR P35968 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
CHRM1 P11229 2/20 0.41
CTSK P43235 1/20 0.41
CTSS P25774 1/20 0.40
ACHE P22303 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL20804981 0.81 PANK3 (0.61) PANK3MEN1KMT2AKDRACHE
SCHEMBL25237876 0.80 ACHE (0.58) PANK3ACHEMAPT
SCHEMBL30874522 0.80 ACHE (0.58) PANK3ACHEMAPT
SCHEMBL27227384 0.80 PANK3 (0.60) PANK3CHRM4KDRCTSSACHE
SCHEMBL10168035 0.79 PANK3 (0.45) PANK3MEN1PSMD14MMP2KMT2A
SCHEMBL388870 0.78 PANK3 (0.53) PANK3KMT2ACHRM4RAB9AKDM4E
SCHEMBL387217 0.76 PANK3 (0.43) PANK3MEN1PSMD14MMP2KMT2A
SCHEMBL387218 0.76 PANK3 (0.43) PANK3MEN1PSMD14MMP2KMT2A
SCHEMBL14340774 0.74 RAB9A (0.41) PANK3MEN1PSMD14MMP2KMT2A
SCHEMBL387763 0.74 DGAT1 (0.41) PANK3MEN1PSMD14MMP2KMT2A

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 PANK3 3436/4885MEN1 4558/4885PSMD14 3307/4885

“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.