SCHEMBL5778694

SCHEMBL5778694

CSc1ccc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.60
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
GLS O94925 2/20 0.53
CETP P11597 1/20 0.52
FPR2 P25090 2/20 0.50
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
YAP1 P46937 1/20 0.48
FPR3 P25089 1/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL13930870 0.87 GPR119 (0.58) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL16825852 0.87 FPR2 (0.63) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL13930863 0.86 PTPN2 (0.57) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL13930867 0.86 PTPN2 (0.57) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL13930857 0.86 KDM4E (0.61) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL13930859 0.85 ALDH1A1 (0.66) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL4965158 0.84 L3MBTL1 (0.67) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL2316963 0.84 PTPN2 (0.64) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL3637978 0.83 GPR119 (0.62) GPR119PTPN2PTPN1PTPN6GLS
SCHEMBL13930876 0.83 CETP (0.65) GPR119PTPN2PTPN1PTPN6GLS

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 2 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

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 103/4885PTPN2 3695/4885PTPN1 3246/4885

“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.