SCHEMBL4559545

SCHEMBL4559545

NC(=O)C(O)(c1ccccc1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
OPRD1 P41143 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4557805 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4558587 0.79 SIGMAR1 (0.42) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4559549 0.77 KMT2A (0.41) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4558785 0.76 KMT2A (0.40) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4558669 0.76 CHRM3 (0.41) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4559921 0.76 SIGMAR1 (0.40) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4559233 0.75 SIGMAR1 (0.39) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4899599 0.75 CHRM3 (0.40) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL10694182 0.74 CHRM2 (0.57) SIGMAR1CHRM2CHRM1CHRM3CHRM4
SCHEMBL6746959 0.74 OPRD1 (0.39) SIGMAR1CHRM2CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 218/4885CHRM2 86/4885CHRM1 162/4885

“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.