SCHEMBL4070758

SCHEMBL4070758

O=C(O)NCc1cccc(CC2CN(C(c3ccccc3)c3ccccc3)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SLC6A9 P48067 2/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
OPRD1 P41143 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL4070762 0.78 KMT2A (0.41) NPSR1KMT2AMEN1SLC6A9MAPT
SCHEMBL4069785 0.78 NPSR1 (0.49) NPSR1HPGD
SCHEMBL1221931 0.77 SLC6A9 (0.46) NPSR1KMT2AMEN1SLC6A9MAPT
SCHEMBL5074958 0.75 KMT2A (0.44) NPSR1KMT2AMEN1SLC6A9MAPT
SCHEMBL14270732 0.72 HTR2C (0.35) KMT2AMEN1SLC6A9OPRD1
SCHEMBL20525055 0.71 NPSR1 (0.58) NPSR1KMT2AMEN1KDM4EHPGD
SCHEMBL7383336 0.70 MTNR1A (0.50) NPSR1KMT2AMEN1SLC6A9CNR1
SCHEMBL14769296 0.70 SLC6A9 (0.52) KMT2ASLC6A9OPRD1CACNA1HCACNA2D1
SCHEMBL3747154 0.69 NPSR1 (0.59) NPSR1KMT2AMEN1KDM4EHPGD
SCHEMBL1740604 0.69 MEN1 (0.46) KMT2AMEN1OPRD1

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 NPSR1 943/4885KMT2A 3431/4885MEN1 2816/4885

“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.