SCHEMBL390780

SCHEMBL390780

CC(C)(C)COC(=O)N1CCN(c2cc(-c3noc(N4CCCC4)n3)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNT1 Q5JUK3 1/20 0.44
MAPK1 P28482 1/20 0.39
MAPK14 Q16539 1/20 0.39
KCNH2 Q12809 1/20 0.38
DGAT1 O75907 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL391361 0.99 MAPT (0.51) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL387444 0.88 MAPT (0.45) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL389763 0.87 KCNT1 (0.46) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL387321 0.87 KCNT1 (0.46) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL386481 0.87 HDAC6 (0.43) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL390191 0.87 LMNA (0.46) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL390431 0.87 LMNA (0.42) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL14340917 0.86 KCNT1 (0.46) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL387385 0.85 HTT (0.43) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL386885 0.85 MAPT (0.41) MAPTLMNAHTTNPC1SMN1; SMN2

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 7 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-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 3502/4885LMNA 4724/4885HTT 3784/4885

“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.