SCHEMBL3095087

SCHEMBL3095087

CCC(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
STS P08842 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NR1D1 P20393 1/20 0.45
PTPRB P23467 1/20 0.44
PTPN11 Q06124 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42

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
SCHEMBL3089163 0.89 KDM4E (0.55) MEN1KMT2ASTSKDM4EPKM
SCHEMBL3032304 0.88 STS (0.49) MEN1KMT2ASTSSMN1; SMN2KDM4E
SCHEMBL17367288 0.86 STS (0.54) MEN1KMT2ASTSNPSR1ALDH1A1
SCHEMBL28750300 0.82 MEN1 (0.48) MEN1KMT2ASTSNPSR1ALDH1A1
SCHEMBL5870863 0.77 NAMPT (0.48) KDM4EPKMPTPRBPTPN11GPR119
SCHEMBL3095081 0.77 KDM4E (0.57) MEN1KMT2ASTSKDM4EPKM
SCHEMBL5870776 0.77 ACKR3 (0.50) KDM4EPKMPTPRBPTPN11
SCHEMBL5870788 0.77 ACKR3 (0.50) KDM4EPKMPTPRBPTPN11
SCHEMBL5871030 0.77 ACKR3 (0.50) KDM4EPKMPTPRBPTPN11
SCHEMBL3155704 0.77 STS (0.56) MEN1KMT2ASTSNPSR1ALDH1A1

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 MEN1 4857/4885KMT2A 1038/4885STS 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.