SCHEMBL3591668

SCHEMBL3591668

CS(=O)(=O)N1CCC([C@@H](CCO)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 11/20 0.56
CCR5 P51681 9/20 0.52
KCNH2 Q12809 3/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL4976049 1.00 CCL5 (0.56) CCL5CCR5KCNH2ALDH1A1MAPT
SCHEMBL2768453 0.82 CCR5 (0.52) CCL5CCR5KCNH2
SCHEMBL5772596 0.81 CCL5 (0.48) CCL5CCR5KCNH2ALDH1A1MAPT
SCHEMBL3600771 0.81 CCL5 (0.48) CCL5CCR5KCNH2ALDH1A1MAPT
SCHEMBL6011500 0.81 CCL5 (0.48) CCL5CCR5KCNH2ALDH1A1MAPT
SCHEMBL9539605 0.79 FFAR1 (0.49) ALDH1A1
SCHEMBL4977533 0.79 CCL5 (0.52) CCL5CCR5KCNH2ALDH1A1MAPT
SCHEMBL31265279 0.76 PKM (0.53) ALDH1A1MAPT
SCHEMBL7194995 0.76 PKM (0.56) ALDH1A1MAPT
SCHEMBL13547427 0.74 CCR5 (0.61) CCL5CCR5KCNH2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
CN-100381423-C Novel piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2008-04-16 CN disclosed
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-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 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
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP 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
CN-1732153-A Novel piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2006-02-08 CN disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 WO 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
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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 (5 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CCL5 8/4885CCR5 1/4885KCNH2 2940/4885
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 CCL5 14/4885CCR5 1/4885KCNH2 1750/4885
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CCL5 21/4885CCR5 1/4885KCNH2 2301/4885
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 CCL5 11/4885CCR5 1/4885KCNH2 2437/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCL5 8/4885CCR5 1/4885KCNH2 3461/4885

“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.