SCHEMBL3082993

SCHEMBL3082993

CCC(=O)N(Cc1ccccc1)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
OPRM1 P35372 1/20 0.52
LIMK2 P53671 1/20 0.51
GPR119 Q8TDV5 3/20 0.50
STS P08842 1/20 0.50
PTPRB P23467 1/20 0.48
PTPN11 Q06124 1/20 0.48
SLC2A1 P11166 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
YAP1 P46937 1/20 0.45

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
SCHEMBL19867107 0.85 KDM4E (0.58) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL1623986 0.84 JAK2 (0.60) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL15462496 0.84 JAK2 (0.60) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL1622025 0.84 JAK2 (0.60) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL3089163 0.82 KDM4E (0.55) KDM4EPKMOPRM1LIMK2GPR119
SCHEMBL5889409 0.81 STS (0.60) KDM4EPKMJAK2JAK1GPR119
SCHEMBL1240761 0.80 KDM4E (0.50) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL13930895 0.80 JAK2 (0.57) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL1853564 0.80 GPR119 (0.47) KDM4EPKMJAK2JAK1LIMK2
SCHEMBL803627 0.80 KDM4E (0.57) KDM4EPKMJAK2JAK1LIMK2

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 1707/4885JAK2 1969/4885

“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.