SCHEMBL5950657

SCHEMBL5950657

CS(=O)(=O)c1ccccc1[C@H](CCN1CCC(CCS(=O)(=O)C2CCNCC2)CC1)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35

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
SCHEMBL5237103 0.85 CCR5 (0.53) CCR5CYP2D6KCNH2
SCHEMBL5233830 0.77 CCR5 (0.50) CCR5CYP2D6KCNH2
SCHEMBL5234422 0.75 CCR5 (0.53) CCR5CYP2D6KCNH2
SCHEMBL5238420 0.73 CCR5 (0.51) CCR5CYP2D6KCNH2
SCHEMBL5234414 0.73 CCR5 (0.57) CCR5CYP2D6KCNH2
SCHEMBL5234516 0.71 CCR5 (0.51) CCR5CYP2D6KCNH2
SCHEMBL3303563 0.71 CCR5 (0.59) CCR5CYP2D6KCNH2
SCHEMBL5238997 0.70 CCR5 (0.58) CCR5CYP2D6KCNH2
SCHEMBL5772192 0.70 CCR5 (0.42) CCR5CYP2D6KCNH2SLC6A2SLC6A4
SCHEMBL5238345 0.70 CCR5 (0.53) CCR5CYP2D6KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-09-14 US 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-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity CCR5, CCR2, CCR7 CCR5 1/4885CYP2D6 1882/4885KCNH2 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.