SCHEMBL387323

SCHEMBL387323

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.54
HDAC1 Q13547 9/20 0.54
HDAC8 Q9BY41 8/20 0.54
HDAC5 Q9UQL6 1/20 0.54
HDAC4 P56524 7/20 0.51
HDAC2 Q92769 1/20 0.46
KCNT1 Q5JUK3 1/20 0.44

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
SCHEMBL386481 0.91 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL387444 0.88 MAPT (0.45) KCNT1
SCHEMBL390191 0.87 LMNA (0.46) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL390431 0.87 LMNA (0.42) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL14340917 0.86 KCNT1 (0.46) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL387385 0.85 HTT (0.43) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL387321 0.85 KCNT1 (0.46) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL386885 0.85 MAPT (0.41) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL390780 0.85 MAPT (0.52) HDAC6HDAC1HDAC8HDAC5KCNT1
SCHEMBL391314 0.85 LMNA (0.41) HDAC6HDAC1HDAC8HDAC5KCNT1

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 HDAC6 645/4885HDAC1 472/4885HDAC8 2485/4885

“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.