SCHEMBL6652978

SCHEMBL6652978

CNC(=O)N(Cc1ccc(OC)cc1)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.53

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
SCHEMBL6657080 0.94 CTSS (0.58) CTSS
SCHEMBL6660931 0.91 CTSS (0.57) CTSS
SCHEMBL6658372 0.91 CTSS (0.55) CTSS
SCHEMBL6652015 0.91 CTSS (0.54) CTSS
SCHEMBL6652103 0.91 UBE2M (0.47) CTSS
SCHEMBL6657632 0.89 UBE2M (0.53) CTSS
SCHEMBL6654398 0.89 CTSS (0.50) CTSS
SCHEMBL6662664 0.88 CTSS (0.52) CTSS
SCHEMBL6654408 0.86 CTSS (0.57) CTSS
SCHEMBL6655169 0.85 UBE2M (0.54) CTSS

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 CTSS 3409/4885

“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.