SCHEMBL10168012

SCHEMBL10168012

COCc1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MAPK1 P28482 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 5/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNT1 Q5JUK3 1/20 0.38
MGLL Q99685 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
SCHEMBL390191 0.88 LMNA (0.46) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL387444 0.87 MAPT (0.45) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL388607 0.86 HTT (0.43) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL391314 0.86 LMNA (0.41) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL387385 0.86 HTT (0.43) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL390431 0.86 LMNA (0.42) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL390566 0.86 MAPT (0.46) LMNAMAPK1GPR119HTTMAPT
SCHEMBL14340917 0.85 KCNT1 (0.46) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL390780 0.85 MAPT (0.52) LMNAMAPK1GPR119KCNH2KMT2A
SCHEMBL386481 0.85 HDAC6 (0.43) LMNAMAPK1GPR119KCNH2KMT2A

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 4 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-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

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 LMNA 4724/4885MAPK1 1383/4885GPR119 137/4885

“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.