SCHEMBL4559648

SCHEMBL4559648

NC(=O)C(CCCO)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
OPRD1 P41143 1/20 0.34
PLAU P00749 2/20 0.32
PLAUR Q03405 2/20 0.32
SLC6A4 P31645 1/20 0.32
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL1077282 0.89 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL10413132 0.86 SIGMAR1 (0.43) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL1900357 0.85 SIGMAR1 (0.58) SIGMAR1OPRD1CHRM5CHRM3
SCHEMBL6032886 0.83 SIGMAR1 (0.41) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL2764645 0.82 SIGMAR1 (0.38) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL1905214 0.81 SIGMAR1 (0.47) SIGMAR1SLC6A4
SCHEMBL9162742 0.80 PLAU (0.36) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL4557394 0.77 MEN1 (0.39) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL8488533 0.77 PLAU (0.36) SIGMAR1OPRD1PLAUPLAURSLC6A4
SCHEMBL28716337 0.75 LMNA (0.45) SIGMAR1OPRD1SLC6A4CHRM5CHRM3

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 SIGMAR1 218/4885OPRD1 302/4885PLAU 3905/4885

“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.