SCHEMBL4558669

SCHEMBL4558669

CCC(C(N)=O)(c1ccccc1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.41
CHRM2 P08172 5/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL4899599 0.90 CHRM3 (0.40) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL2703429 0.78 ALDH1A1 (0.54) MAPTSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4901870 0.77 CYP2B6 (0.45) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL15962304 0.77 SIGMAR1 (0.40) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL4559545 0.76 SIGMAR1 (0.44) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL4559549 0.75 KMT2A (0.41) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL18765527 0.75 OPRM1 (0.49) CHRM3CHRM2KMT2AMEN1SMN1; SMN2
SCHEMBL5816021 0.75 CYP2B6 (0.43) CHRM3CHRM2KMT2AMAPTCHRM4
SCHEMBL9989678 0.75 KMT2A (0.43) KMT2ACHRM4CHRM5CHRM1SIGMAR1
SCHEMBL4557805 0.75 SIGMAR1 (0.42) CHRM3CHRM2KMT2AMAPTCHRM4

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 CHRM3 178/4885CHRM2 86/4885KMT2A 2079/4885

“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.