SCHEMBL4245461

SCHEMBL4245461

C=C1CCN(C(=O)OC(C)(C)C)c2nc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GPR119 Q8TDV5 9/20 0.35
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SSTR4 P31391 1/20 0.34
ESR2 Q92731 1/20 0.33
NR1H2 P55055 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL31445324 0.86 POLB (0.36) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL4247376 0.86 GRM5 (0.39) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL12654175 0.82 GRM5 (0.39) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL14380649 0.82 ESR2 (0.44) GRM5PIM1PIM2GPR119KDM1A
SCHEMBL6190206 0.77 MPO (0.41) GRM5GPR119KDM1ASMN1; SMN2ESR2
SCHEMBL30474547 0.77 MPO (0.41) GRM5GPR119KDM1ASMN1; SMN2ESR2
SCHEMBL12654377 0.76 MPO (0.41) GRM5GPR119KDM1ATSHRESR2
SCHEMBL30062192 0.76 UCHL1 (0.35) PIM1PIM2MEN1MAPTTSHR
SCHEMBL20722891 0.76 UCHL1 (0.35) PIM1PIM2MEN1MAPTTSHR
SCHEMBL5847948 0.74 KDM1A (0.39) GRM5GPR119KDM1ASSTR4

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.