SCHEMBL6091634

SCHEMBL6091634

CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(N)c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.84
KCNH2 Q12809 1/20 0.74

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
Hydrochloric Acid SCHEMBL6091820 0.99 CCR5 (0.83) CCR5KCNH2
Hydrochloric Acid SCHEMBL6091817 0.99 CCR5 (0.83) CCR5KCNH2
SCHEMBL12207016 0.92 CCR5 (1.00) CCR5
SCHEMBL6699455 0.91 CCR5 (0.84) CCR5
SCHEMBL6336926 0.91 CCR5 (1.00) CCR5
SCHEMBL6339869 0.91 CCR5 (1.00) CCR5
SCHEMBL14468466 0.90 CCR5 (0.86) CCR5KCNH2
SCHEMBL5439461 0.90 CCR5 (0.86) CCR5KCNH2
SCHEMBL5445929 0.90 CCR5 (0.86) CCR5KCNH2
SCHEMBL6367798 0.90 CCR5 (0.82) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2006-07-27 US disclosed
EP-1539695-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2004018425-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 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 (2 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-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 CCR5 1/4885KCNH2 2731/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 CCR5 1/4885KCNH2 2886/4885

“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.