SCHEMBL4255969

SCHEMBL4255969

CN(C)CCOC(=O)C(N)CS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM3 P20309 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
PHLPP2 Q6ZVD8 1/20 0.41
PTGS1 P23219 1/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
DNM1 Q05193 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.36
BCHE P06276 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL6891065 0.81 PTGS1 (0.48) PTGS1SLC7A11
SCHEMBL22392165 0.80 PTGS1 (0.36) PTGS1SLC7A11
SCHEMBL24160467 0.79 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL12234620 0.79 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL13179876 0.78 CHRM1 (0.50) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL111370 0.78 PTGS1 (0.44) CHRM1PTGS1SLC7A11SMN1; SMN2LMNA
SCHEMBL111371 0.78 PTGS1 (0.44) CHRM1PTGS1SLC7A11SMN1; SMN2LMNA
SCHEMBL24160359 0.78 CHRNB2 (0.54) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL990705 0.77 BLM (0.46) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL3032152 0.77 DNM1 (0.51) CHRM1CHRM2CHRM3CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585846-B2 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof UNIVERSITY OF ROCHESTER (US) 2009-09-08 US disclosed
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury UNIVERSITY OF ROCHESTER 2009-06-11 US disclosed
EP-1965650-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY University of Rochester (US) 2008-09-10 EP disclosed
WO-2007076322-A2 COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY UNIVERSITY OF ROCHESTER (US) 2007-07-05 WO disclosed
US-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof ROCHESTER, UNIVERSITY OF 2007-05-03 US disclosed
EP-1691818-A4 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIV ROCHESTER (US) 2007-01-24 EP disclosed
EP-1691818-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF University of Rochester (US) 2006-08-23 EP disclosed
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-08 US disclosed
WO-2005051978-A2 COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2005-06-09 WO 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 (3 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-20070099845-A1 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof TXN2, GLS, PDF CHRM1 4809/4885CHRM2 4826/4885CHRM3 4777/4885
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury SHMT2, TXN2, TXNRD2 CHRM1 3039/4885CHRM2 2926/4885CHRM3 2626/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 CHRM1 3199/4885CHRM2 3065/4885CHRM3 2762/4885

“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.