SCHEMBL387385

SCHEMBL387385

COC(=O)c1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
KCNT1 Q5JUK3 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 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
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL388607 0.91 HTT (0.43) HTTLMNAMAPTNPC1HRH3
SCHEMBL390191 0.89 LMNA (0.46) HTTLMNAMAPTNPC1HRH3
SCHEMBL390431 0.89 LMNA (0.42) HTTLMNAMAPTNPC1HRH3
SCHEMBL387444 0.88 MAPT (0.45) HTTLMNAMAPTNPC1KCNT1
SCHEMBL390134 0.87 LMNA (0.41) HTTLMNAMAPTNPC1HRH3
SCHEMBL10168012 0.86 LMNA (0.45) HTTLMNAMAPTNPC1HRH3
SCHEMBL14340917 0.86 KCNT1 (0.46) HTTLMNAMAPTNPC1HRH3
SCHEMBL387321 0.85 KCNT1 (0.46) HTTLMNAMAPTNPC1HRH3
SCHEMBL386481 0.85 HDAC6 (0.43) HTTLMNAMAPTNPC1KCNT1
SCHEMBL390780 0.85 MAPT (0.52) HTTLMNAMAPTNPC1KCNT1

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 10 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 claimed
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 HTT 3784/4885LMNA 4724/4885MAPT 3502/4885

“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.