SCHEMBL3865352

SCHEMBL3865352

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.72
RECQL P46063 1/20 0.64
EPHX1 P07099 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PREP P48147 2/20 0.45
TSHR P16473 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OGFRL1 Q5TC84 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
SCHEMBL3859089 0.93 HPGD (0.71) HPGDRECQLEPHX1HSD17B10PTPN2
Bicarbonate SCHEMBL9057196 0.91 HPGD (0.67) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL1971010 0.90 EPHX1 (0.55) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL4383127 0.88 EPHX1 (0.57) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL22657797 0.87 HPGD (0.77) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL65017 0.87 HPGD (0.54) HPGDRECQLEPHX1ALDH1A1SMN1; SMN2
SCHEMBL27485042 0.86 HPGD (0.60) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL4668282 0.86 HPGD (0.64) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL4668285 0.86 HPGD (0.64) HPGDRECQLEPHX1HSD17B10ALDH1A1
SCHEMBL1507159 0.85 HPGD (0.54) HPGDRECQLEPHX1HSD17B10ALDH1A1

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-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
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 3921/4885EPHX1 1504/4885

“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.