SCHEMBL6093438

SCHEMBL6093438

CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](NC(=O)OC(C)(C)C)c2cccc(F)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.77
KCNH2 Q12809 3/20 0.67
CYP2D6 P10635 1/20 0.63

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
SCHEMBL6093448 1.00 CCR5 (0.77) CCR5KCNH2CYP2D6
SCHEMBL6091798 0.91 CCR5 (0.72) CCR5
SCHEMBL6091792 0.91 CCR5 (0.72) CCR5
SCHEMBL6645202 0.89 CCR5 (0.72) CCR5KCNH2CYP2D6
SCHEMBL6645199 0.89 CCR5 (0.72) CCR5KCNH2CYP2D6
SCHEMBL6645133 0.88 CCR5 (0.72) CCR5KCNH2CYP2D6
SCHEMBL6645138 0.88 CCR5 (0.72) CCR5KCNH2CYP2D6
SCHEMBL6649822 0.88 CCR5 (0.74) CCR5KCNH2CYP2D6
SCHEMBL6649818 0.88 CCR5 (0.74) CCR5KCNH2CYP2D6
SCHEMBL6648581 0.87 CCR5 (0.76) CCR5KCNH2CYP2D6

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-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-08-04 US disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 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 (3 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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) CCR5, CXCR1, CCR7 CCR5 1/4885KCNH2 1730/4885CYP2D6 1950/4885
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 CCR5 1/4885KCNH2 2731/4885CYP2D6 1189/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 CCR5 1/4885KCNH2 2886/4885CYP2D6 2335/4885

“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.