SCHEMBL3511320

SCHEMBL3511320

CN(C)CCONC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRNA4 P43681 1/20 0.45
BCHE P06276 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.38
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 8/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
PAOX Q6QHF9 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
SCHEMBL4607278 0.82 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL13191371 0.78 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12304486 0.77 CHRNA4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29019856 0.75 TSHR (0.40) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL27797987 0.73
SCHEMBL3509561 0.71
SCHEMBL3512280 0.70
SCHEMBL14798711 0.70
Hydrochloric Acid SCHEMBL20450562 0.69
Hydrochloric Acid SCHEMBL8220484 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 CHRM2 70/4885CHRM4 168/4885CHRM5 360/4885

“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.