SCHEMBL5217699

SCHEMBL5217699

CS(=O)(=O)N1CCC([C@@H](CCN2CCC(CNS(=O)(=O)c3ccc(N)cc3)CC2)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.56
KCNH2 Q12809 10/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HTR1A P08908 3/20 0.44
DRD2 P14416 3/20 0.44
HTR7 P34969 3/20 0.44
HTR6 P50406 3/20 0.44
CCL5 P13501 1/20 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
SCHEMBL5226537 0.90 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6HTR1A
SCHEMBL5224166 0.89 CCR5 (0.54) CCR5KCNH2CYP3A4CYP2D6HTR1A
SCHEMBL5225263 0.88 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL14505207 0.88 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4915643 0.82 CCR5 (0.54) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5221867 0.82 CCR5 (0.56) CCR5KCNH2CYP2D6HTR1ADRD2
SCHEMBL5221963 0.82 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4912503 0.81 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3595208 0.80 CCR5 (0.61) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4910132 0.80 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5

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 7 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
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
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
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CCR5 1/4885KCNH2 2301/4885CYP3A4 779/4885

“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.