SCHEMBL6654869

SCHEMBL6654869

CNC(=O)N(Cc1ccccc1)C1CCN(Cc2nc(-c3ccccc3OC)[nH]c2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
OPRM1 P35372 3/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
UBE2M P61081 10/20 0.41
DCUN1D1 Q96GG9 10/20 0.41
MCHR1 Q99705 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CARM1 Q86X55 1/20 0.39

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 0.87 DRD2 (0.48) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6652103 0.87 UBE2M (0.47) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6651283 0.87 OPRM1 (0.41) OPRM1CHRM2CHRM3MEN1KMT2A
SCHEMBL6656007 0.85 OPRM1 (0.46) OPRM1CHRM2CHRM3UBE2MDCUN1D1
SCHEMBL6655097 0.83 OPRM1 (0.50) LMNAOPRM1CHRM2CHRM3UBE2M
SCHEMBL6656589 0.83 OPRM1 (0.49) LMNAOPRM1CHRM2CHRM3UBE2M
SCHEMBL6656905 0.82 CTSS (0.47) OPRM1UBE2MDCUN1D1
SCHEMBL6658372 0.82 CTSS (0.55) UBE2MDCUN1D1
SCHEMBL6654132 0.81 MEN1 (0.40) LMNAOPRM1CHRM2CHRM3KDM4E
SCHEMBL6652554 0.80 CHRM2 (0.50) LMNAOPRM1CHRM2CHRM3UBE2M

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 LMNA 4529/4885OPRM1 84/4885CHRM2 1750/4885

“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.