SCHEMBL6526330

SCHEMBL6526330

CC(C)=N[C@H](C(=O)O)[C@@H](C)OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 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
Carbamic Acid SCHEMBL6526329 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23744198 0.72 TP53 (0.43) ALDH1A1
SCHEMBL29728550 0.71 LMNA (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL745345 0.69
SCHEMBL14627140 0.69
SCHEMBL5218767 0.69 SLC7A5 (0.50) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL9761916 0.68
Pentabamate SCHEMBL636717 0.67 LMNA (0.44) LMNACHRM2CHRM4CHRM5CHRM1
Methacrylic Acid SCHEMBL21483482 0.65 TDP1 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL18043494 0.65

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-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 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-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP LMNA 4692/4885CHRM2 727/4885CHRM4 401/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP LMNA 4404/4885CHRM2 571/4885CHRM4 282/4885

“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.