SCHEMBL6011653

SCHEMBL6011653

O=S(=O)(CCC1CCN(CCC(O)c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.62
SLC6A3 Q01959 8/20 0.62
SLC6A2 P23975 5/20 0.62
HTR1A P08908 1/20 0.54
SIGMAR1 Q99720 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
CCR5 P51681 2/20 0.49

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
SCHEMBL6011652 1.00 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2HTR1ASIGMAR1
SCHEMBL6011420 0.89 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2GRIN2DGRIN3B
SCHEMBL6011353 0.87 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2CCR5
SCHEMBL27633197 0.81 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2HTR1ASIGMAR1
SCHEMBL6011337 0.81 CCR5 (0.53) SLC6A4SLC6A3SLC6A2CCR5
SCHEMBL6011408 0.81 CCR5 (0.53) CCR5
SCHEMBL8892949 0.79 GRIN2B (0.71) SLC6A4SLC6A3SLC6A2HTR1AGRIN2D
SCHEMBL6011565 0.77 CCR2 (0.49) CCR5
SCHEMBL6011545 0.77 CCR2 (0.49) CCR5
SCHEMBL6011546 0.77 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 SLC6A4 2570/4885SLC6A3 1787/4885SLC6A2 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.