SCHEMBL1077282

SCHEMBL1077282

NC(=O)C(CCO)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
OPRD1 P41143 2/20 0.36
SLC6A4 P31645 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
LMNA P02545 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CHKA P35790 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
SCHEMBL4559648 0.89 SIGMAR1 (0.43) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL10413132 0.86 SIGMAR1 (0.43) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL2764645 0.85 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL1905214 0.84 SIGMAR1 (0.47) SIGMAR1SLC6A4CA2CA12CA1
SCHEMBL28478812 0.83 SIGMAR1 (0.39) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL9162742 0.83 PLAU (0.36) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL6032886 0.83 SIGMAR1 (0.41) SIGMAR1OPRD1SLC6A4
SCHEMBL30598638 0.81 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL1900357 0.81 SIGMAR1 (0.58) SIGMAR1OPRD1CHRM5CHRM3CA2
SCHEMBL4557394 0.80 MEN1 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US 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 (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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 SIGMAR1 3255/4885OPRD1 3860/4885SLC6A4 4682/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 SIGMAR1 218/4885OPRD1 302/4885SLC6A4 260/4885

“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.