SCHEMBL969820

SCHEMBL969820

CC(Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MC4R P32245 2/20 0.40
LTA4H P09960 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
ANPEP P15144 2/20 0.39
SLC7A5 Q01650 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
CPB2 Q96IY4 2/20 0.37
THRB P10828 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL972564 0.85 CTSK (0.47)
SCHEMBL10340351 0.82 MC4R (0.42) MMP2MC4RLTA4HMC5RMC3R
SCHEMBL10792449 0.80 LTA4H (0.39) MMP2LTA4HANPEP
SCHEMBL18497919 0.77 SLC7A5 (0.45) MC4RLTA4HMC5RMC3RSLC7A5
SCHEMBL10425083 0.75 CTSK (0.44) SLC7A5
SCHEMBL30727542 0.75 EPOR (0.38) LTA4H
SCHEMBL11047397 0.75 SLC7A5 (0.48) LTA4HSLC7A5
SCHEMBL11388403 0.74 THRB (0.35) MMP2SLC7A5THRB
SCHEMBL27519271 0.74 GRM8 (0.30) THRB
SCHEMBL27519273 0.74 GRM8 (0.30) THRB

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2012-05-10 US disclosed
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 US disclosed
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2010-08-05 US disclosed
US-7723305-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-25 US disclosed
US-7718619-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-18 US disclosed
US-7713936-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-11 US disclosed
US-7700561-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-04-20 US disclosed
US-7687467-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7687466-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7678770-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-16 US disclosed
US-20090131333-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131335-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
US-20090124696-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
US-20090124700-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-14 US disclosed
EP-1865980-A2 ABUSE-RESISTANT AMPHETAMINE PRODRUGS New River Pharmaceuticals Inc. (US) 2007-12-19 EP disclosed
WO-2006121552-A9 ABUSE-RESISTANT AMPHETAMINE PRODRUGS NEW RIVER PHARMACEUTICALS INC (US) 2007-03-08 WO disclosed
US-20070042955-A1 Abuse-resistant amphetamine prodrugs NEW RIVER PHARMACEUTICALS INC. (US) 2007-02-22 US disclosed
WO-2006121552-A2 ABUSE-RESISTANT AMPHETAMINE PRODRUGS NEW RIVER PHARMACEUTICALS INC. (US) 2006-11-16 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 (10 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-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20070042955-A1 Abuse-resistant amphetamine prodrugs COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20090124700-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20090124696-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20090131333-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20090131335-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 MMP2 2424/4885MC4R 269/4885LTA4H 2121/4885

“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.