SCHEMBL13592271

SCHEMBL13592271

NCCCCC(N)C(=O)N=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.59
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DPP7 Q9UHL4 11/20 0.41
DPP8 Q6V1X1 6/20 0.41
DPP9 Q86TI2 6/20 0.41
DPP4 P27487 3/20 0.41
CPB2 Q96IY4 2/20 0.38
FAP Q12884 1/20 0.37

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
SCHEMBL14215018 1.00 GSR (0.59) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL13084137 1.00 GSR (0.59) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL18739868 0.93 GSR (0.50) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL19881428 0.84
SCHEMBL5501937 0.79 GSR (0.55) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL15896442 0.78 DPP7 (0.48) DPP7DPP8DPP9DPP4
SCHEMBL26606339 0.78 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL17365415 0.78 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL7294151 0.78 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL27005 0.78 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 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 (2 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-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 GSR 1529/4885GNAI3 938/4885GNAO1 739/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B GSR 1217/4885GNAI3 1023/4885GNAO1 590/4885

“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.