SCHEMBL6652063

SCHEMBL6652063

CNC(=O)N(Cc1ccccc1)C1CCN(Cc2nc(-c3ccccc3)[nH]c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
OPRM1 P35372 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
CTSS P25774 10/20 0.45
UBE2M P61081 3/20 0.44
DCUN1D1 Q96GG9 3/20 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
SCHEMBL6656007 0.95 OPRM1 (0.46) DRD2DRD4DRD3OPRM1CHRM2
SCHEMBL6656905 0.92 CTSS (0.47) OPRM1CTSSUBE2MDCUN1D1
SCHEMBL6658372 0.92 CTSS (0.55) CTSSUBE2MDCUN1D1
SCHEMBL6652103 0.92 UBE2M (0.47) OPRM1CHRM2CHRM3CTSSUBE2M
SCHEMBL6655097 0.89 OPRM1 (0.50) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6656589 0.88 OPRM1 (0.49) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6657080 0.88 CTSS (0.58) CTSS
SCHEMBL6654869 0.87 LMNA (0.46) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6654886 0.87 UBE2M (0.53) UBE2MDCUN1D1
SCHEMBL6653818 0.85 UBE2M (0.47) OPRM1CHRM2CHRM3UBE2MDCUN1D1

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
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP claimed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US claimed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO claimed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 DRD2 346/4885DRD4 429/4885DRD3 1039/4885

“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.