SCHEMBL974013

SCHEMBL974013

CC(Cc1ccccc1)NC(=O)C(N)CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
LMNA P02545 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CTRB1 P17538 3/20 0.51
CTSC P53634 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL10195699 1.00 NPC1 (0.63) NPC1RAB9ALMNATAAR1CYP3A4
SCHEMBL970530 0.90 NPC1 (0.67) NPC1RAB9ALMNATAAR1CYP3A4
SCHEMBL30573673 0.90 NPC1 (0.67) NPC1RAB9ALMNATAAR1CYP3A4
SCHEMBL10135745 0.90 NPC1 (0.67) NPC1RAB9ALMNATAAR1CYP3A4
SCHEMBL24931056 0.88 NPC1 (0.63) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL5745774 0.88 CTSC (0.58) NPC1RAB9ALMNACYP3A4MAPK1
SCHEMBL11235523 0.86 NPC1 (0.61) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL27183297 0.86 NPC1 (0.61) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL14613571 0.85 NPC1 (0.69) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL20474615 0.84 ACACB (0.61) NPC1RAB9ALMNACYP3A4CTSC

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 84 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-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-7105486-B2 Administering L-lysine-d-amphetamine; attention deficit hyperactivity disorder; decreasing the bioavailability of amphetamine by intravenous or intranasal administration, further limiting their abuse liability. NEW RIVER PHARMACEUTICALS INC. (US) 2006-09-12 US disclosed
EP-1675555-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OF OVERDOSE OR ABUSE New River Pharmaceuticals Inc. (US) 2006-07-05 EP disclosed
WO-2006052880-A2 SYNERGISTIC EFFECTS OF COMBINED ADMINISTRATION OF MIRTAZAPINE AND A STIMULANT COMPOUND NEW RIVER PHARMACEUTICALS INC. (US) 2006-05-18 WO disclosed
US-20060100136-A1 Synergistic effects of combined administration of mirtazapine and a stimulant compound SHIRE LLC 2006-05-11 US disclosed
EP-1644019-A1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS New River Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
US-20050176646-A1 Covalently bonding a narcotic to a single amino acid or an oligopeptide of 15 or fewer amino acids such that the narcotic does not release into a patient's bloodstream at levels that give rise to a euphoric or overdose level NEW RIVER PHARMACEUTICALS INC. (US) 2005-08-11 US disclosed
WO-2005032474-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OF OVERDOSE OR ABUSE NEW RIVER PHARMACEUTICALS INC. (US) 2005-04-14 WO disclosed
US-20050054561-A1 Abuse-resistant amphetamine compounds NEW RIVER PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20050038121-A1 Abuse resistant lysine amphetamine compounds NEW RIVER PHARMACEUTICALS INC. (US) 2005-02-17 US disclosed
WO-2005000334-A1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS NEW RIVER PHARMACEUTICALS, INC. (US) 2005-01-06 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 (8 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-20050054561-A1 Abuse-resistant amphetamine compounds COMT, CYP3A5, SLC6A2 NPC1 73/4885RAB9A 3013/4885LMNA 2951/4885
US-20050038121-A1 Abuse resistant lysine amphetamine compounds COMT, KDM6B, KDM5B NPC1 137/4885RAB9A 2367/4885LMNA 1203/4885
US-20100105781-A1 ABUSE RESISTANT LYSINE AMPHETAMINE COMPOUNDS COMT, KDM6B, KDM5B NPC1 137/4885RAB9A 2367/4885LMNA 1203/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885LMNA 3050/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885LMNA 3050/4885
US-20050176646-A1 Covalently bonding a narcotic to a single amino acid or an oligopeptide of 15 or fewer amino acids such that the narcotic does not release into a patient's bloodstream at levels that give rise to a euphoric or overdose level DNPEP, OGFR, OPRL1 NPC1 3556/4885RAB9A 2367/4885LMNA 3671/4885
US-20060100136-A1 Synergistic effects of combined administration of mirtazapine and a stimulant compound SLC6A4, HTR5A, HTR4 NPC1 738/4885RAB9A 1807/4885LMNA 3986/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 NPC1 119/4885RAB9A 2485/4885LMNA 3050/4885

“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.