SCHEMBL3863795

SCHEMBL3863795

CC(C)N1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.55
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 3/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL3867174 1.00 HPGD (0.58) HPGDRECQLHRH3ALDH1A1NPC1
SCHEMBL20528079 0.87 USP2 (0.42) HPGDHRH3ALDH1A1NPC1MAPT
SCHEMBL13676968 0.87 USP2 (0.42) HPGDHRH3ALDH1A1NPC1MAPT
SCHEMBL20523460 0.87 USP2 (0.42) HPGDHRH3ALDH1A1NPC1MAPT
SCHEMBL4668634 0.78 HRH3 (0.42) HPGDHRH3ALDH1A1SMN1; SMN2
SCHEMBL3859733 0.77 HPGD (0.53) HPGDRECQLHRH3ALDH1A1NPC1
SCHEMBL3859725 0.77 HPGD (0.53) HPGDRECQLHRH3ALDH1A1NPC1
SCHEMBL2048225 0.76 HPGD (0.76) HPGDRECQLALDH1A1MAPTHTT
SCHEMBL31706062 0.76 HPGD (0.76) HPGDRECQLALDH1A1MAPTHTT
SCHEMBL23123859 0.76 HPGD (0.56) HPGDRECQLALDH1A1NPC1MAPT

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 3921/4885HRH3 1322/4885

“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.