SCHEMBL4928262

SCHEMBL4928262

C=CCCc1cccc(N(C)C(=O)O)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 2/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
KCNH2 Q12809 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL4072739 0.85 HSD17B10 (0.34) NPSR1ITGB1ITGA5CHRNB2CHRNB4
SCHEMBL4064831 0.82 PDE10A (0.38) NPSR1PDE10AITGB1ITGA5KCNH2
SCHEMBL8234289 0.82 PAX8 (0.36) NPSR1
SCHEMBL4065110 0.79 NPSR1 (0.36) NPSR1PDE10A
SCHEMBL4071519 0.78 KCNH2 (0.40) NPSR1PDE10AITGB1ITGA5KCNH2
SCHEMBL4073680 0.77 NPSR1 (0.35) NPSR1PDE10A
SCHEMBL4072992 0.71 ALDH1A1 (0.34) NPSR1ITGB1ITGA5
SCHEMBL4064446 0.71 NPSR1 (0.54) NPSR1KCNH2
SCHEMBL4720183 0.70
SCHEMBL5712482 0.70 SMN1; SMN2 (0.41) NPSR1KCNH2NOS1NOS2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US 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 943/4885PDE10A 2029/4885EDNRB 36/4885

“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.