SCHEMBL4069788

SCHEMBL4069788

CN(C(=O)O)c1cccc(CC2CNC2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.32
USP30 Q70CQ3 2/20 0.32
NOS1 P29475 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
NOS3 P29474 2/20 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
SCHEMBL14270730 0.83 PAX8 (0.35) SLC6A4
SCHEMBL4070762 0.77 KMT2A (0.41) NPSR1
SCHEMBL4065110 0.76 NPSR1 (0.36) NPSR1
SCHEMBL4073680 0.75 NPSR1 (0.35) NPSR1HTR1A
SCHEMBL4064831 0.74 PDE10A (0.38) NPSR1NOS1
SCHEMBL4069785 0.73 NPSR1 (0.49) NPSR1NOS1NOS3
SCHEMBL4072992 0.72 ALDH1A1 (0.34) NPSR1
SCHEMBL4072739 0.71 HSD17B10 (0.34) NPSR1
SCHEMBL4071486 0.71 HTR2C (0.35) USP30SLC6A4
SCHEMBL4071519 0.70 KCNH2 (0.40) NPSR1NOS1

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 3 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
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 CTSD 3436/4885NPSR1 943/4885HTR1A 282/4885

“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.