SCHEMBL6701965

SCHEMBL6701965

CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.73
KCNH2 Q12809 3/20 0.64
GPR119 Q8TDV5 2/20 0.64
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
LMNA P02545 1/20 0.54

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
SCHEMBL2768189 0.89 KCNH2 (0.80) CCR5KCNH2GPR119
SCHEMBL6701416 0.83 CCR5 (0.75) CCR5KCNH2GPR119
SCHEMBL13478932 0.78 CHRM4 (0.64) CHRM2CHRM3
SCHEMBL5083771 0.77 OPRM1 (0.69) CCR5KCNH2GPR119CHRM2CHRM3
SCHEMBL6702550 0.77 CCR5 (0.57) CCR5KCNH2GPR119
SCHEMBL6368678 0.74 CCR5 (0.58) CCR5KCNH2GPR119
SCHEMBL12207016 0.74 CCR5 (1.00) CCR5
SCHEMBL5441160 0.74 CCR5 (0.73) CCR5KCNH2
SCHEMBL6091634 0.74 CCR5 (0.84) CCR5KCNH2
SCHEMBL14446771 0.74 CCR5 (0.84) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1368314-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 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-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 CCR5 1/4885KCNH2 2789/4885GPR119 332/4885

“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.