SCHEMBL6011337

SCHEMBL6011337

CS(=O)(=O)N1CCN(C(CCN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.53
KCNH2 Q12809 5/20 0.53
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43

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
SCHEMBL6011465 0.93 CCR5 (0.61) CCR5KCNH2
SCHEMBL6011408 0.85 CCR5 (0.53) CCR5KCNH2
SCHEMBL6011353 0.81 SLC6A3 (0.47) CCR5SLC6A2SLC6A4SLC6A3
SCHEMBL6011652 0.81 SLC6A4 (0.62) CCR5SLC6A2SLC6A4SLC6A3
SCHEMBL6011653 0.81 SLC6A4 (0.62) CCR5SLC6A2SLC6A4SLC6A3
SCHEMBL6011790 0.76 CCR5 (0.55) CCR5KCNH2
SCHEMBL6011793 0.76 CCR5 (0.55) CCR5KCNH2
SCHEMBL14284030 0.76 CCR5 (0.55) CCR5KCNH2
SCHEMBL5498416 0.76 CCR5 (0.55) CCR5KCNH2
SCHEMBL6011545 0.75 CCR2 (0.49) 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 CCR5 1/4885KCNH2 2437/4885SLC6A2 2953/4885

“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.