SCHEMBL10136058

SCHEMBL10136058

C[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MMP2 P08253 1/20 0.55
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
MEN1 O00255 3/20 0.49
CTSC P53634 2/20 0.49
ACACB O00763 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL27710873 1.00 NPC1 (0.58) NPC1RAB9AMMP2LMNAKMT2A
SCHEMBL31633415 0.99 NPC1 (0.59) NPC1RAB9AMMP2LMNAKMT2A
SCHEMBL14345777 0.88 NPC1 (0.69) NPC1RAB9AMMP2LMNAKMT2A
SCHEMBL24642659 0.87 NPC1 (0.59) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL13866374 0.83 HPGD (0.54) MMP2LMNACTSC
SCHEMBL29630808 0.83 MMP2 (0.55) MMP2LMNACTSCNPSR1
SCHEMBL2032499 0.81 MMP2 (0.56) MMP2LMNACTSCNPSR1
SCHEMBL2032501 0.81 MMP2 (0.56) MMP2LMNACTSCNPSR1
SCHEMBL16983210 0.81 MMP2 (0.56) MMP2LMNACTSCNPSR1
SCHEMBL13448351 0.80 NPC1 (0.51) NPC1RAB9ALMNAKMT2AALDH1A1

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 55 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
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-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-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-7687466-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7687467-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-30 US disclosed
US-7678771-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-03-16 US disclosed
US-20090131334-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131533-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131325-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131322-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-05-21 US disclosed
US-20090131526-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-20080086016-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS NEW RIVER PHARMACEUTICALS INC. (US) 2008-04-10 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 (12 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-20090131533-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20090131322-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20100105781-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS COMT, KDM6B, KDM5B NPC1 137/4885RAB9A 2367/4885MMP2 2188/4885
US-20070042955-A1 Abuse-resistant amphetamine prodrugs COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20090131526-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20090131325-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20080086016-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS COMT, KDM6B, KDM5B NPC1 137/4885RAB9A 2367/4885MMP2 2188/4885
US-20090124831-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20090131334-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885MMP2 2424/4885

“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.