SCHEMBL387217

SCHEMBL387217

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.43
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 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
KDM4E B2RXH2 4/20 0.39
ACHE P22303 4/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTR7 P34969 1/20 0.38
CYP3A4 P08684 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
SCHEMBL387218 1.00 PANK3 (0.43) PANK3HSD17B10LMNASMN1; SMN2HTT
SCHEMBL391613 0.80 KDM4E (0.41) HSD17B10LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL391614 0.80 KDM4E (0.41) HSD17B10LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10168035 0.76 PANK3 (0.45) PANK3HSD17B10LMNASMN1; SMN2HTT
SCHEMBL387209 0.76 PANK3 (0.54) PANK3HSD17B10LMNASMN1; SMN2HTT
SCHEMBL14340774 0.72 RAB9A (0.41) PANK3HSD17B10LMNASMN1; SMN2HTT
SCHEMBL387763 0.72 DGAT1 (0.41) PANK3HSD17B10LMNASMN1; SMN2HTT
SCHEMBL391005 0.70 PARP1 (0.54) HSD17B10LMNASMN1; SMN2HTTALDH1A1
SCHEMBL29319392 0.70 ACHE (0.60) MAPTACHEPOLBADORA2A
SCHEMBL14340860 0.69 KDM4E (0.70) HSD17B10SMN1; SMN2ALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3436/4885HSD17B10 2126/4885LMNA 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.