SCHEMBL5779319

SCHEMBL5779319

O=C(CC1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.52
KCNH2 Q12809 3/20 0.52
ALDH1A1 P00352 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CCR3 P51677 2/20 0.43
LMNA P02545 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
STAT1 P42224 1/20 0.42
SLC6A2 P23975 3/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL5950353 0.79 SLC6A4 (0.59) CCR5SLC6A4SLC6A3CCR3SLC6A2
SCHEMBL5777439 0.79 SLC6A4 (0.59) CCR5SLC6A4SLC6A3CCR3SLC6A2
SCHEMBL5776786 0.78 SLC6A4 (0.56) CCR5SLC6A4SLC6A3CCR3LMNA
SCHEMBL5775608 0.78 KCNH2 (0.64) CCR5KCNH2
SCHEMBL6011337 0.71 CCR5 (0.53) CCR5KCNH2SLC6A4SLC6A3SLC6A2
SCHEMBL13930611 0.70 CCR3 (0.48) CCR5ALDH1A1SLC6A4SLC6A3HTT
SCHEMBL5776852 0.68 CCR5 (0.62) CCR5KCNH2
SCHEMBL13930995 0.68 EPHX2 (0.56) CCR5ALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL13952187 0.67 EPHX2 (0.55) CCR5ALDH1A1GAACCR3
SCHEMBL5949989 0.66 CCR5 (0.49) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572683-B1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1572683-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056808-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-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 CCR5, CCR2, CXCR4 CCR5 1/4885KCNH2 1959/4885ALDH1A1 492/4885

“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.