SCHEMBL5776667

SCHEMBL5776667

CS(=O)(=O)c1ccc(N2CCC(CC(N)=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
AKR1C3 P42330 1/20 0.49
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SLC6A9 P48067 1/20 0.42
F10 P00742 1/20 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
SCHEMBL15650145 0.81 GFER (0.49)
SCHEMBL29518820 0.80 DEGS1 (0.54) AKR1C3
SCHEMBL4703338 0.79 NOTUM (0.50)
SCHEMBL2556203 0.78 TRIM24 (0.53)
SCHEMBL4500240 0.77 GPR119 (0.58) GPR119AKR1C3CTSBCTSSCTSK
SCHEMBL9983648 0.77 MAPT (0.51)
SCHEMBL3131722 0.77 ITGB3 (0.49) F10
SCHEMBL29518869 0.76 NOTUM (0.55) AKR1C3
SCHEMBL28849550 0.76 GPR119 (0.60) GPR119AKR1C3
SCHEMBL3640235 0.75 FFAR1 (0.44) CTSBCTSSCTSK

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-1572683-B1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-03-30 US disclosed
EP-1572683-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056808-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 (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-20060069120-A1 Novel piperidine derivaties as modulators of chemokine receptor ccr5 CCR5, CCR2, CXCR4 GPR119 103/4885AKR1C3 695/4885CTSB 2208/4885

“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.