SCHEMBL4252641

SCHEMBL4252641

C[N+](C)(C)CCOOC(=O)[C@@H](N)CSN=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.42
CHRM3 P20309 8/20 0.42
CHRM2 P08172 7/20 0.42
CHRM4 P08173 7/20 0.42
CHRM5 P08912 6/20 0.42
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNA7 P36544 3/20 0.42
HTR1A P08908 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
PGR P06401 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40

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
SCHEMBL4252636 0.88 CHRM1 (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL4258839 0.78 CHRM1 (0.39) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2530104 0.76 CHRM1 (0.44) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2535137 0.73 GRM8 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2532430 0.73 GRM8 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13805071 0.73 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL15413070 0.72 KIF11 (0.39) SMN1; SMN2
SCHEMBL16627205 0.72 KIF11 (0.39) SMN1; SMN2
SCHEMBL4115823 0.71 ALOX15 (0.37) CYP2C19LMNATSHRGAACYP2D6
SCHEMBL31615179 0.71 ALOX15 (0.37) CYP2C19LMNATSHRGAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury UNIVERSITY OF ROCHESTER 2009-06-11 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090149540-A1 Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury SHMT2, TXN2, TXNRD2 CHRM1 3039/4885CHRM3 2626/4885CHRM2 2926/4885
US-20060122267-A1 Compositions and methods for attenuating mitochondria-mediated cell injury SHMT2, TXN2, TXNRD2 CHRM1 3199/4885CHRM3 2762/4885CHRM2 3065/4885

“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.