SCHEMBL4977533

SCHEMBL4977533

CCOC(=O)CC(c1ccccc1)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCL5 P13501 6/20 0.52
CCR5 P51681 5/20 0.48
ALDH1A1 P00352 2/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL13886428 0.84 CCR5 (0.49) CCL5CCR5ALDH1A1KCNH2HTT
SCHEMBL29706736 0.82 MEN1 (0.52) ALDH1A1KCNH2MEN1KMT2APKM
SCHEMBL3598951 0.79 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL5772596 0.79 CCL5 (0.48) CCL5CCR5ALDH1A1KCNH2L3MBTL1
SCHEMBL3591668 0.79 CCL5 (0.56) CCL5CCR5ALDH1A1KCNH2MAPT
SCHEMBL4976049 0.79 CCL5 (0.56) CCL5CCR5ALDH1A1KCNH2MAPT
SCHEMBL6011500 0.76 CCL5 (0.48) CCL5CCR5ALDH1A1KCNH2L3MBTL1
SCHEMBL3600771 0.76 CCL5 (0.48) CCL5CCR5ALDH1A1KCNH2L3MBTL1
SCHEMBL13547436 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNA
SCHEMBL21381972 0.74 CACNA1B (0.41) ALDH1A1MEN1KMT2ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381423-C Novel piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2008-04-16 CN disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US 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
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
CN-101006057-A Novel piperidine/8-azabicyclo [3.2.1] octan derivatives as moduilators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2007-07-25 CN 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-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
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-03-30 US disclosed
CN-1732153-A Novel piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2006-02-08 CN disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 WO disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
EP-1572683-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-2004056808-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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 (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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CCL5 21/4885CCR5 1/4885ALDH1A1 1579/4885
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 CCR5, CCR2, CXCR4 CCL5 9/4885CCR5 1/4885ALDH1A1 492/4885
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 CCL5 13/4885CCR5 1/4885ALDH1A1 939/4885

“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.