SCHEMBL5776852

SCHEMBL5776852

CS(=O)(=O)c1ccc(NC(=O)CC2CCN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.62
KCNH2 Q12809 9/20 0.62
CCL5 P13501 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 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
SCHEMBL5775608 0.91 KCNH2 (0.64) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL5775633 0.90 CCR5 (0.51) CCR5KCNH2
SCHEMBL5949989 0.85 CCR5 (0.49) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL5949993 0.79 CCR5 (0.43) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL3639322 0.79 CCR5 (0.46) CCR5KCNH2
SCHEMBL3635731 0.78 CA1 (0.51) CCR5
SCHEMBL3634919 0.77 CA1 (0.51)
SCHEMBL13930621 0.76 CA1 (0.49) CCR5
SCHEMBL6011793 0.76 CCR5 (0.55) CCR5KCNH2CCL5
SCHEMBL6011790 0.76 CCR5 (0.55) CCR5KCNH2CCL5

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
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

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 1959/4885CCL5 9/4885

“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.