SCHEMBL3083337

SCHEMBL3083337

CC(C)(C)OC(=O)N1CCC(CNc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
STS P08842 2/20 0.56
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TGFBR1 P36897 6/20 0.51
GPR119 Q8TDV5 2/20 0.50
NR3C1 P04150 1/20 0.49

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
SCHEMBL16130140 0.88 LTA4H (0.52) KDM4EPKMSTSPTPN2PTPN1
SCHEMBL15539667 0.88 FPR2 (0.61) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL12258638 0.88 KDM4E (0.58) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL3087666 0.88 KDM4E (0.70) KDM4EPKMSTSPTPN2PTPN1
SCHEMBL3032509 0.86 TGFBR1 (0.56) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL6148442 0.85 CYP2D6 (0.64) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL3980865 0.85 KDM4E (0.53) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL14255786 0.85 GPR119 (0.57) KDM4EPKMPTPN2PTPN1PTPN6
SCHEMBL3979358 0.84 KDM4E (0.57) KDM4EPKMSTSHTTMEN1
SCHEMBL20615733 0.83 KDM4E (0.79) KDM4EPKMSTSALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-16 US disclosed
EP-1987001-B1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-05-05 EP disclosed
EP-1987001-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NeuroSearch A/S (DK) 2008-11-05 EP disclosed
WO-2007093603-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2007-08-23 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-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRL1, OPRM1, OPRK1 KDM4E 622/4885PKM 1707/4885STS 4825/4885

“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.