SCHEMBL6704673

SCHEMBL6704673

CC(C)(C)OC(=O)NC1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.56
KCNA3 P22001 1/20 0.55
DRD2 P14416 3/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A3 Q01959 3/20 0.54
DRD3 P35462 2/20 0.54
CACNA1F O60840 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CNR1 P21554 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
HRH2 P25021 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
ADRA1A P35348 1/20 0.54

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
SCHEMBL3643801 0.90 CCR5 (0.67) CCR5KCNA3DRD2DRD3
SCHEMBL6079039 0.84 CCR5 (0.60) CCR5KCNA3DRD2HRH2HRH1
SCHEMBL6079046 0.84 CCR5 (0.60) CCR5KCNA3DRD2HRH2HRH1
SCHEMBL22928828 0.84 DRD2 (0.53) KCNA3DRD2SLC6A3DRD3DRD4
SCHEMBL23579702 0.81 KCNA3 (0.53) CCR5KCNA3DRD2SLC6A2SLC6A3
SCHEMBL5858593 0.81 CCR5 (0.65) CCR5KCNA3DRD2SLC6A2SLC6A3
SCHEMBL3351581 0.81 SIGMAR1 (0.60) KCNA3DRD3HTR2A
SCHEMBL7724023 0.80 KCNA3 (0.49) KCNA3DRD2SLC6A2SLC6A3DRD3
SCHEMBL7724014 0.80 KCNA3 (0.49) KCNA3DRD2SLC6A2SLC6A3DRD3
SCHEMBL10361878 0.80 HTR2A (0.68) CCR5DRD2SLC6A2SLC6A3DRD3

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
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 US disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 CCR5 1/4885KCNA3 2564/4885DRD2 612/4885

“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.