SCHEMBL5222946

SCHEMBL5222946

CS(=O)(=O)c1ccc([C@@H](CCN2CCC(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.54
KCNH2 Q12809 2/20 0.54
CYP2D6 P10635 1/20 0.54
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
HTR7 P34969 3/20 0.44
HTR6 P50406 3/20 0.44
KCNJ1 P48048 1/20 0.42

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
SCHEMBL5219147 0.93 CCR5 (0.60) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5218232 0.92 CCR5 (0.53) CCR5KCNH2CYP2D6KCNJ1
SCHEMBL5221867 0.89 CCR5 (0.56) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5218446 0.87 CCR5 (0.57) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5224129 0.86 CCR5 (0.54) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5432766 0.84 CCR5 (0.52) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5224166 0.83 CCR5 (0.54) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5222481 0.82 CCR5 (0.53) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5224469 0.82 CCR5 (0.49) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5225123 0.81 CCR5 (0.62) CCR5KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 EP 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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CCR5 1/4885KCNH2 2301/4885CYP2D6 557/4885

“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.