SCHEMBL10135530

SCHEMBL10135530

C[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.60
▸ CTSK P43235 4/20 0.60
▸ CTSB P07858 2/20 0.60
▸ CTSL P07711 1/20 0.60
▸ REN P00797 3/20 0.55
▸ ACE P12821 1/20 0.55
▸ ATM Q13315 1/20 0.53
▸ AKT1 P31749 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ PPARG P37231 1/20 0.50

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
SCHEMBL10135746 0.92 CTSS (0.70) CTSSCTSKCTSBCTSLREN
SCHEMBL22962299 0.92 CTSS (0.70) CTSSCTSKCTSBCTSLREN
SCHEMBL10195698 0.88 CTSS (0.58) CTSSCTSKCTSBCTSLREN
SCHEMBL8902975 0.88 ACE (0.67) CTSSCTSKCTSBCTSLREN
SCHEMBL8902979 0.88 ACE (0.67) CTSSCTSKCTSBCTSLREN
SCHEMBL3676166 0.87 NPC1 (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL12203694 0.87 NPC1 (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL3676162 0.87 NPC1 (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL29401299 0.87 NPC1 (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL8351065 0.86 CTSS (0.56) CTSSCTSKCTSBCTSLREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644019-B1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS SHIRE LLC (US) 2012-02-15 — — EP disclosed
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 — — US disclosed
US-7723305-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-25 — — US disclosed
US-20100105781-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS SHIRE LLC (US) 2010-04-29 — — US disclosed
US-7700561-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-04-20 — — US disclosed
US-7671030-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-02 — — US disclosed
US-7662788-B2 Administering L-lysine-d-amphetamine or salts SHIRE LLC (US) 2010-02-16 — — US disclosed
US-7659253-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-02-09 — — US disclosed
US-7659254-B2 Orally administering lysdexamfetamine or salts to adults for treating attention deficit hyperactivity disorder SHIRE LLC (US) 2010-02-09 — — US disclosed
US-7655630-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-02-02 — — US disclosed
US-20090137672-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-28 — — US disclosed
US-20090137488-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-28 — — US disclosed
US-20090137491-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-28 — — US disclosed
US-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 — — US disclosed
US-20090131476-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 — — US disclosed
US-20090131525-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-7375083-B2 Pharmaceutical compositions for prevention of overdose or abuse SHIRE LLC (US) 2008-05-20 — — US disclosed
US-7223735-B2 Abuse resistant lysine amphetamine compounds NEW RIVER PHARMACEUTICALS INC. (US) 2007-05-29 — — US disclosed
US-20070042955-A1 Abuse-resistant amphetamine prodrugs NEW RIVER PHARMACEUTICALS INC. (US) 2007-02-22 — — 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 (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-20090137672-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20100105781-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS COMT, KDM6B, KDM5B CTSS 904/4885CTSK 578/4885CTSB 386/4885
US-20090131332-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20090137491-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20070042955-A1 Abuse-resistant amphetamine prodrugs COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20090131525-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20090137488-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20090131476-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 CTSS 1737/4885CTSK 1897/4885CTSB 675/4885

“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.

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