SCHEMBL998938

SCHEMBL998938

CC(C)(N)C(=O)OC(=O)C1(N)Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.33
ELANE P08246 2/20 0.32
CYP2C19 P33261 1/20 0.32
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL1561351 0.76 MEN1 (0.42) POLBL3MBTL1LMNAMAPTNOTUM
SCHEMBL22729870 0.76 MEN1 (0.42) POLBL3MBTL1LMNAMAPTNOTUM
SCHEMBL998936 0.76 CYP2C19 (0.41) POLBL3MBTL1MAPTCYP2C19DPP9
Hydrochloric Acid SCHEMBL1561349 0.75 MEN1 (0.41) POLBL3MBTL1LMNAMAPTNOTUM
Hydrochloric Acid SCHEMBL29633570 0.75 MEN1 (0.41) POLBL3MBTL1LMNAMAPTNOTUM
SCHEMBL12571286 0.74 NOTUM (0.42) POLBL3MBTL1NOTUMDPP9DPP7
SCHEMBL3306445 0.72 BRD4 (0.51) LMNAMAPTNOTUMMEN1KMT2A
SCHEMBL30801469 0.72 BRD4 (0.51) LMNAMAPTNOTUMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5411403 0.71 MEN1 (0.39) POLBL3MBTL1MAPTCYP2C19DPP9
SCHEMBL122942 0.68 HDAC9 (0.44) DPP9DPP7HDAC9

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-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
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011083304-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-07-14 WO 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
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF SHIRE LLC (US) 2009-07-23 US disclosed
WO-2009092071-A2 AMINO ACID AND PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF 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 (5 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 POLB 4062/4885L3MBTL1 1615/4885LMNA 4692/4885
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 POLB 3874/4885L3MBTL1 1717/4885LMNA 4680/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP POLB 3869/4885L3MBTL1 1626/4885LMNA 4404/4885
US-20090186832-A1 AMINO ACID PEPTIDE PRO-DRUGS OF PHENOLIC ANALGESICS AND USES THEREOF DNPEP, PEPD, PREP POLB 3779/4885L3MBTL1 760/4885LMNA 1672/4885
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS OPRL1, OGFR, OPRK1 POLB 3713/4885L3MBTL1 1639/4885LMNA 4664/4885

“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.