SCHEMBL4697481

SCHEMBL4697481

O=S(=O)(c1ccccn1)N1CCC2(CC1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
KDM4E B2RXH2 1/20 0.55
PKM P14618 2/20 0.53
PKLR P30613 1/20 0.53
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12621854 0.81 PKM (0.49) POLBPKMPKLRMAPK1ALDH1A1
SCHEMBL4708071 0.80 PKM (0.59) POLBKDM4EPKMPKLRATM
SCHEMBL22381081 0.80 PKM (0.48) POLBPKMPKLRMAPK1ALDH1A1
SCHEMBL12655901 0.80 PKM (0.48) POLBKDM4EPKMPKLRMAPK1
SCHEMBL1847833 0.78 PKM (0.56) KDM4EPKMPKLRNPC1RAB9A
SCHEMBL4755561 0.78 POLB (0.56) POLBKDM4EPKMATMNPC1
SCHEMBL6154077 0.77 POLB (1.00) POLBKDM4EPKMATMMAPK1
SCHEMBL6616459 0.77 TSHR (0.56) KDM4EPKMPKLRNPC1RAB9A
SCHEMBL24712032 0.75 PKM (0.50) KDM4EPKMPKLRNPC1RAB9A
SCHEMBL12655896 0.74 PKM (0.52) POLBKDM4EPKMPKLRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 POLB 4500/4885KDM4E 2938/4885PKM 3159/4885

“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.