SCHEMBL998946

SCHEMBL998946

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
ANPEP P15144 7/20 0.39
RNPEP Q9H4A4 3/20 0.39
DNPEP Q9ULA0 2/20 0.39
ALOX15 P16050 1/20 0.36
LAP3 P28838 4/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A1 P43005 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
LARS1 Q9P2J5 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 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
SCHEMBL9100153 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4958595 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4775852 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6130798 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7676359 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL16062283 0.83 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1585736 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7361839 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL541251 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459447-A Scutellarin aglycone-7-amino carbamate-4' -substituted aminopropyl ether derivative and preparation and application thereof 贵州医科大学 2024-08-09 CN claimed
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US claimed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 WO claimed
WO-2009092071-A2 AMINO ACID AND PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 WO claimed
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 US claimed
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
EP-2453900-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-05-23 EP disclosed
WO-2011007247-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-01-20 WO disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 US disclosed
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 US disclosed
WO-2009092073-A2 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-23 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 (4 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 SLC7A5 41/4885SLC1A3 47/4885SLC1A2 101/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP SLC7A5 44/4885SLC1A3 59/4885SLC1A2 149/4885
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF DNPEP, PEPD, PREP SLC7A5 47/4885SLC1A3 70/4885SLC1A2 78/4885
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS OPRL1, OGFR, OPRK1 SLC7A5 49/4885SLC1A3 29/4885SLC1A2 65/4885

“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.