SCHEMBL4253538

SCHEMBL4253538

CC1CCN(C(=O)OC(C)(C)C)c2nc(CCO)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
KDM1A O60341 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4246267 0.83 HTR2A (0.37) DRD2HTR2A
SCHEMBL4244018 0.83 L3MBTL1 (0.39) GPR119KDM4EALDH1A1
SCHEMBL4243711 0.82 GPR119 (0.43) GPR119KDM1A
SCHEMBL31444879 0.81 STS (0.40) GPR119PTPN2PTPN1PTPN6KDM1A
SCHEMBL861986 0.77 MPO (0.40) GPR119KDM1ADRD2
SCHEMBL4929412 0.77 HDAC1 (0.35) GPR119KDM1ADRD2
SCHEMBL4207156 0.76 CSNK2A1 (0.38) GPR119ALDH1A1
SCHEMBL4247148 0.76 PDK1 (0.36) GPR119HTR2AALDH1A1
SCHEMBL6323174 0.75 USP2 (0.36) DRD2
SCHEMBL6266493 0.75 CSNK2A1 (0.35) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B GPR119 227/4885PTPN2 3325/4885PTPN1 3154/4885

“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.