SCHEMBL4559647

SCHEMBL4559647

CCCNC(=O)C(O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
OPRD1 P41143 2/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
GNAI3 P08754 3/20 0.36
GNAO1 P09471 3/20 0.36
GNAI1 P63096 3/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HSD17B10 Q99714 1/20 0.34
USP2 O75604 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1077279 0.86 OPRD1 (0.45) SIGMAR1OPRD1CHRM5CHRM3GNAI3
SCHEMBL11066538 0.83 SIGMAR1 (0.63) SIGMAR1OPRD1CHRM5CHRM3GNAI3
SCHEMBL1907641 0.81 SIGMAR1 (0.44) SIGMAR1OPRD1CHRM5CHRM3GNAI3
SCHEMBL11070233 0.74 SIGMAR1 (0.60) SIGMAR1CHRM5CHRM3GNAI3GNAO1
SCHEMBL4899605 0.74 OPRD1 (0.53) OPRD1KMT2AMEN1TSHR
SCHEMBL4789536 0.73 ALDH1A1 (0.46) USP2KMT2AMEN1TSHRKDM4E
SCHEMBL11066224 0.73 SIGMAR1 (0.59) SIGMAR1GNAI3GNAO1GNAI1USP2
SCHEMBL11060304 0.72 SIGMAR1 (0.58) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL10818831 0.72 KMT2A (0.55) KMT2AMEN1TDP1
SCHEMBL6678936 0.69 SIGMAR1 (0.58) SIGMAR1OPRD1CHRM5CHRM3GNAI3

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 218/4885OPRD1 302/4885CHRM5 65/4885

“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.