SCHEMBL3862845

SCHEMBL3862845

CC1CN(C2CCC2)CCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.44
EPHX1 P07099 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PREP P48147 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
SCHEMBL3862839 1.00 HPGD (0.55) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL12450345 0.85 PSEN1 (0.40) HPGDHSD17B10EPHX1KMT2AMEN1
SCHEMBL15055295 0.82 HPGD (0.52) HPGDRECQLHSD17B10EPHX1GAA
SCHEMBL15055293 0.82 HPGD (0.52) HPGDRECQLHSD17B10EPHX1GAA
SCHEMBL13261925 0.82 MAPT (0.56) HPGDRECQLGAAKMT2ATSHR
SCHEMBL13261797 0.82 MAPT (0.56) HPGDRECQLGAAKMT2ATSHR
SCHEMBL23123859 0.81 HPGD (0.56) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL28943383 0.81 HPGD (0.56) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL15776467 0.80 GAA (0.53) HPGDRECQLHSD17B10EPHX1GAA
SCHEMBL3865352 0.80 HPGD (0.72) HPGDRECQLHSD17B10EPHX1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
CN-1809553-A Piperazine derivatives and their use in the treatment of neurological and psychiatric disorders GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 WO 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C HPGD 1179/4885RECQL 3921/4885HSD17B10 2113/4885

“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.