SCHEMBL4559646

SCHEMBL4559646

CCCC(O)(C(N)=O)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
SIGMAR1 Q99720 3/20 0.33
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PDGFRA P16234 1/20 0.31
EPHA3 P29320 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL1077277 0.87 SIGMAR1 (0.33) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL7678677 0.81 SIGMAR1 (0.37) SIGMAR1CHRM5CHRM3
SCHEMBL9990034 0.80 SIGMAR1 (0.36) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL665673 0.76 SIGMAR1 (0.36) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL9990046 0.74 SIGMAR1 (0.33) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL2764635 0.74 SIGMAR1 (0.33) GNAI3GNAO1GNAI1SIGMAR1CHRM5
SCHEMBL4789533 0.74 L3MBTL1 (0.40) KMT2A
SCHEMBL9533096 0.73 SIGMAR1 (0.32) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL1408779 0.72 GNAI3 (0.33) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL1088468 0.72 SIGMAR1 (0.37) SIGMAR1CHRM5CHRM3LMNAKMT2A

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
EP-3801522-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2021-04-14 EP disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GNAI3 2478/4885GNAO1 418/4885GNAI1 2725/4885

“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.