SCHEMBL5230904

SCHEMBL5230904

CS(=O)(=O)N1CCC([C@@H](CCN2CCC(CCS(=O)(=O)C3CCN(C(=O)OCc4ccccc4)CC3)CC2)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.49
KCNH2 Q12809 10/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CCL5 P13501 8/20 0.43

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
SCHEMBL4980163 0.88 CCR5 (0.46) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5235161 0.86 CCR5 (0.54) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5238345 0.86 CCR5 (0.53) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5234516 0.84 CCR5 (0.51) CCR5KCNH2CYP2D6
SCHEMBL5231310 0.81 CCR5 (0.49) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5233830 0.80 CCR5 (0.50) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4906571 0.79 CCR5 (0.53) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3592590 0.76 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL6012135 0.74 CCR5 (0.63) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL6012136 0.74 CCR5 (0.63) CCR5KCNH2CYP3A4CYP2D6CCL5

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-1648871-B1 PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-10-17 EP disclosed
US-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-09-14 US disclosed
EP-1648871-A1 PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-04-26 EP disclosed
WO-2005007629-A1 PIPERIDINE OR 8-AZA-BICYCLO[3.2.1]OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-01-27 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-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity CCR5, CCR2, CCR7 CCR5 1/4885KCNH2 1750/4885CYP3A4 1558/4885

“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.