SCHEMBL4247376

SCHEMBL4247376

Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BUB1 O43683 2/20 0.38
GPR119 Q8TDV5 6/20 0.37
KDM1A O60341 1/20 0.36
SSTR4 P31391 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.34
SRD5A1 P18405 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL12654175 0.94 GRM5 (0.39) GRM5PIM1PIM2BUB1GPR119
SCHEMBL31445013 0.86 BUB1 (0.38) PIM1PIM2BUB1GPR119ESR2
SCHEMBL4245461 0.86 GRM5 (0.39) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL30646098 0.86 BUB1 (0.38) PIM1PIM2BUB1GPR119KDM1A
SCHEMBL14380649 0.85 ESR2 (0.44) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL30474547 0.81 MPO (0.41) GRM5GPR119KDM1AESR2
SCHEMBL6190206 0.81 MPO (0.41) GRM5GPR119KDM1AESR2
SCHEMBL1809397 0.80 GPR119 (0.38) PIM1PIM2BUB1GPR119OPRM1
SCHEMBL12654377 0.80 MPO (0.41) GRM5GPR119KDM1AESR2
SCHEMBL1809681 0.76 KDM1A (0.41) PIM1PIM2KDM1A

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 GRM5 688/4885PIM1 1311/4885PIM2 2071/4885

“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.