SCHEMBL6652103

SCHEMBL6652103

CNC(=O)N(Cc1ccccc1)C1CCN(Cc2nc(-c3ccc(OC)cc3)[nH]c2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.47
DCUN1D1 Q96GG9 3/20 0.47
OPRM1 P35372 3/20 0.47
CTSS P25774 6/20 0.45
ALOX15B O15296 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
THRB P10828 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
SCHEMBL6652063 0.92 DRD2 (0.48) UBE2MDCUN1D1OPRM1CTSSCHRM2
SCHEMBL6656007 0.92 OPRM1 (0.46) UBE2MDCUN1D1OPRM1CTSSCHRM2
SCHEMBL6652978 0.91 CTSS (0.53) CTSS
SCHEMBL6656905 0.89 CTSS (0.47) UBE2MDCUN1D1OPRM1CTSS
SCHEMBL6658372 0.89 CTSS (0.55) UBE2MDCUN1D1CTSS
SCHEMBL6657632 0.87 UBE2M (0.53) UBE2MDCUN1D1CTSS
SCHEMBL6654869 0.87 LMNA (0.46) UBE2MDCUN1D1OPRM1CHRM2CHRM3
SCHEMBL6658783 0.85 CHRM2 (0.51) OPRM1CTSSALOX15BCHRM2CHRM3
SCHEMBL6657080 0.84 CTSS (0.58) CTSS
SCHEMBL6655097 0.83 OPRM1 (0.50) UBE2MDCUN1D1OPRM1CHRM2CHRM3

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
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

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 UBE2M 3824/4885DCUN1D1 3697/4885OPRM1 84/4885

“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.