SCHEMBL2767914

SCHEMBL2767914

CS(=O)(=O)N1CCC(/C=C/C(=O)Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
EPHX2 P34913 2/20 0.41
EPHX1 P07099 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2767918 1.00 TP53 (0.45) TP53EPHX2EPHX1NPSR1SMN1; SMN2
SCHEMBL2769248 0.84 TP53 (0.46) TP53EPHX2EPHX1NPSR1SMN1; SMN2
SCHEMBL2769250 0.84 TP53 (0.46) TP53EPHX2EPHX1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5233787 0.83 TP53 (0.45) TP53EPHX2EPHX1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL27660529 0.83 TP53 (0.45) TP53EPHX2EPHX1NPSR1SMN1; SMN2
SCHEMBL27726560 0.78 TP53 (0.44) TP53NPSR1SMN1; SMN2TSHRLMNA
SCHEMBL13393848 0.78 TP53 (0.44) TP53NPSR1SMN1; SMN2TSHRLMNA
SCHEMBL4444782 0.76 HTT (0.51) TP53NPSR1SMN1; SMN2TSHRLMNA
SCHEMBL13886420 0.76 TP53 (0.43) TP53EPHX2EPHX1NPSR1SMN1; SMN2
SCHEMBL27747318 0.76 TP53 (0.43) TP53EPHX2EPHX1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761494-B1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2010-04-21 EP disclosed
EP-1761494-B1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2010-04-21 EP disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
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
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 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
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
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
WO-2006001751-A1 CHEMICAL COMPOUNDS I ASTRAZENECA AB (SE) 2006-01-05 WO 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-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 (4 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 TP53 4673/4885EPHX2 2204/4885EPHX1 1651/4885
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 TP53 4158/4885EPHX2 2194/4885EPHX1 1885/4885
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 TP53 4656/4885EPHX2 3736/4885EPHX1 2527/4885
US-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 TP53 4435/4885EPHX2 523/4885EPHX1 764/4885

“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.