SCHEMBL6092152

SCHEMBL6092152

CON(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 4/20 0.47
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CYP26A1 O43174 1/20 0.41
KLK5 Q9Y337 1/20 0.41
AKT1 P31749 2/20 0.41

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
SCHEMBL20993378 0.88 KMT2A (0.47) KMT2ACYP26A1
SCHEMBL13742745 0.86 CYP26A1 (0.47) JAK3BTKCTSKCTSSKMT2A
SCHEMBL22188676 0.85 MEN1 (0.42) JAK3BTKKMT2AATM
SCHEMBL8171011 0.85 CTSS (0.41) JAK3BTKCTSKCTSSCTSL
SCHEMBL4125738 0.84 KMT2A (0.48) MAPTKMT2ACYP26A1
SCHEMBL5862217 0.83 CTSK (0.52) CTSKCTSSMAPTKMT2AATM
SCHEMBL1783805 0.83 CTSK (0.52) CTSKCTSSMAPTKMT2AATM
SCHEMBL31633773 0.83 CTSK (0.52) CTSKCTSSMAPTKMT2AATM
SCHEMBL1573513 0.83 CTSK (0.52) CTSKCTSSMAPTKMT2AATM
SCHEMBL348500 0.83 CTSK (0.54) CTSKCTSSMAPTKMT2AATM

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
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
EP-1539695-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1490336-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) 2004-12-29 EP disclosed
EP-1448525-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-08-25 EP disclosed
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2004-06-10 US disclosed
WO-2004018425-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
EP-1368314-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2003080574-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) 2003-10-02 WO disclosed
WO-2003042178-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2003-05-22 WO 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 (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-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 JAK3 1981/4885BTK 2883/4885CTSK 3757/4885
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 JAK3 2185/4885BTK 1861/4885CTSK 3692/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 JAK3 2091/4885BTK 1775/4885CTSK 3212/4885
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 JAK3 2050/4885BTK 2265/4885CTSK 3413/4885
US-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 JAK3 1884/4885BTK 1821/4885CTSK 2119/4885

“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.