SCHEMBL4607278

SCHEMBL4607278

CC(=O)NOCCN(C)C

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
PHLPP2 Q6ZVD8 1/20 0.38
PAOX Q6QHF9 1/20 0.37
DNM1 Q05193 1/20 0.36
BCHE P06276 1/20 0.35
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 1/20 0.34
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3511320 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
SCHEMBL456288 0.73
SCHEMBL840550 0.73
SCHEMBL19978698 0.73
SCHEMBL1569411 0.71
SCHEMBL25835914 0.71
SCHEMBL13045664 0.71

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
EP-0007572-B1 PHARMACEUTICAL MIXTURES CONTAINING AN AMANTADINE COMPOUND CIBA-GEIGY AG (CH) 1983-04-27 EP claimed
EP-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
EP-1527042-B1 METHOD FOR PRODUCING AMINOALKOXY BENZYLAMINES AND AMINOALKOXY BENZONITRILES AS INTERMEDIATES BASF SE (DE) 2008-07-23 EP disclosed
US-7256312-B2 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BASF AKTIENGESELLSCHAFT (DE) 2007-08-14 US disclosed
US-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 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-20050256340-A1 Method for producing aminoalkoxy benzylamines and aminoalkoxy benzonitriles as intermediates BCAT1, BCAT2, ALKBH3 CHRM2 901/4885CHRM4 1933/4885CHRM5 2122/4885

“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.