SCHEMBL387626

SCHEMBL387626

CC(C)(C)CC(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.65
HSD17B10 Q99714 8/20 0.65
HPGD P15428 3/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
RECQL P46063 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 9/20 0.62
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.58
CASP1 P29466 1/20 0.58
ADRB2 P07550 1/20 0.57

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
SCHEMBL14340860 0.86 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL12781875 0.84 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL25039062 0.84 KDM4E (0.62) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL596065 0.82 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL5052466 0.82 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL392458 0.82 KDM4E (0.56) KDM4EHSD17B10SMN1; SMN2ALDH1A1KMT2A
SCHEMBL15630682 0.81 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL12156469 0.81 ALDH1A1 (0.74) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15007834 0.81 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL6387072 0.81 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KDM4E 3756/4885HSD17B10 2126/4885HPGD 2246/4885

“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.