SCHEMBL6704076

SCHEMBL6704076

CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(N(c2ccccc2)C(C)C(=O)CCc2ccc(O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.56
KCNH2 Q12809 2/20 0.51

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
SCHEMBL6701710 0.80 CCR5 (0.66) CCR5KCNH2
SCHEMBL6702177 0.77 CCR5 (0.67) CCR5KCNH2
SCHEMBL2768189 0.74 KCNH2 (0.80) CCR5KCNH2
SCHEMBL6701709 0.73 CCR5 (0.69) CCR5KCNH2
SCHEMBL5503594 0.73 CCR5 (0.72) CCR5KCNH2
Hydrochloric Acid SCHEMBL6704113 0.73 CCR5 (0.73) CCR5KCNH2
SCHEMBL14468466 0.73 CCR5 (0.86) CCR5KCNH2
SCHEMBL5441160 0.72 CCR5 (0.73) CCR5KCNH2
SCHEMBL12207016 0.72 CCR5 (1.00) CCR5
SCHEMBL6336926 0.71 CCR5 (1.00) CCR5

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 1/4885KCNH2 3181/4885

“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.