SCHEMBL3174249

SCHEMBL3174249

C[C@H](Cc1ccccc1)NO

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.65
TAAR1 Q96RJ0 3/20 0.65
SLC18A2 Q05940 1/20 0.65
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SLC6A4 P31645 2/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL125441 1.00 SIGMAR1 (0.65) SIGMAR1TAAR1SLC18A2NPC1RAB9A
Hydrochloric Acid SCHEMBL219711 0.98 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2NPC1RAB9A
Iodide SCHEMBL221293 0.98 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2NPC1RAB9A
Bromide SCHEMBL221648 0.98 SIGMAR1 (0.63) SIGMAR1TAAR1SLC18A2NPC1RAB9A
Hydroxyamphetamine SCHEMBL7041719 0.83 TAAR1 (0.66) SIGMAR1TAAR1SLC18A2SLC6A4
SCHEMBL30624762 0.81 SIGMAR1 (0.71) SIGMAR1TAAR1SLC18A2NPC1RAB9A
SCHEMBL21243273 0.81 SIGMAR1 (0.73) SIGMAR1TAAR1SLC18A2NPC1RAB9A
SCHEMBL2958028 0.80 SLC6A4 (0.63) SIGMAR1TAAR1SLC6A4CYP3A4CYP2D6
Methamphetamine SCHEMBL18227057 0.80 SIGMAR1 (0.91) SIGMAR1TAAR1SLC18A2NPC1RAB9A
Methamphetamine SCHEMBL42615 0.79 SIGMAR1 (1.00) SIGMAR1TAAR1SLC18A2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155687-A1 METHODS OF TREATMENT USING AN AMPHETAMINE PRODRUG SHIRE PHARMACEUTICALS INC. (US) 2020-05-21 US disclosed
WO-2019199724-A1 SALTS OF AMPHETAMINE-HOMOARGININE CONJUGATE PRODRUG SHIRE PHARMACEUTICALS, INC. (US) 2019-10-17 WO disclosed
WO-2019136224-A1 AMPHETAMINE-GUANFACINE COMBINATIONS FOR TREATMENT OF NEUROPSYCHIATRIC DISORDERS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-07-11 WO disclosed
US-20140194524-A1 Methods for Treating Alzheimer's Disease COGNITION PHARMACEUTICALS, LLC (US) 2014-07-10 US disclosed
US-20140171510-A1 HOMOARGININE PRODRUGS AND/OR CONJUGATES OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME SHIRE LLC (KY) 2014-06-19 US disclosed
EP-2739140-A1 HOMOARGININE PRODRUGS AND/OR CONJUGATES OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME Shire LLC (US) 2014-06-11 EP disclosed
US-20130231395-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE COGNITION PHARMACEUTICALS, LLC (US) 2013-09-05 US disclosed
WO-2013019187-A1 HOMOARGININE PRODRUGS AND/OR CONJUGATES OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2013-02-07 WO disclosed
US-20120142785-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE COGNITION PHARMACEUTICALS LLC (US) 2012-06-07 US disclosed
CN-1826105-B Use of amphetamine composition in producing medicine for treating cognitive impairment SENTION INC 2010-09-08 CN disclosed
US-20060111448-A1 Methods for treating cognitive impairment in humans with multiple sclerosis SENTION, INC., PROVIDENCE, RI 2006-05-25 US disclosed
EP-1635851-A2 METHODS FOR TREATING COGNITIVE IMPAIRMENT AND IMPROVING COGNITION Sention, Inc. (US) 2006-03-22 EP disclosed
US-20050059743-A1 Treatment with particular enantiomers levo-amphetamine or levo-methamphetamine without adverse side effects SENTION, INC. (US) 2005-03-17 US disclosed
WO-2005000203-A2 METHODS FOR TREATING COGNITIVE IMPAIRMENT AND IMPROVING COGNITION SENTION, INC. (US) 2005-01-06 WO disclosed
US-6828351-B2 Use of specified enantiomers of amphetamine, levo-amphetamine for enhancing and/or restoring long-term memory function and performance SENTION, INC. 2004-12-07 US disclosed
EP-1420768-A2 METHODS AND COMPOSITIONS FOR REGULATING MEMORY CONSOLIDATION Sention, Inc. (US) 2004-05-26 EP disclosed
US-20030232890-A1 Methods for treating an impairment in memory consolidation SENTION, INC. (US) 2003-12-18 US disclosed
US-20030119884-A1 Methods and compositions for regulating memory consolidation PANMEDIX, INC. 2003-06-26 US disclosed
US-20020115725-A1 Methods and compositions for regulating memory consolidation PRIESTLEY, KATHERINE (GB) 2002-08-22 US disclosed
WO-2002039998-A2 METHODS AND COMPOSITIONS FOR REGULATING MEMORY CONSOLIDATION SENTION, INC. (US) 2002-05-23 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 (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-20140171510-A1 HOMOARGININE PRODRUGS AND/OR CONJUGATES OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME COMT, PNMT, HNMT SIGMAR1 893/4885TAAR1 162/4885SLC18A2 19/4885
US-20060111448-A1 Methods for treating cognitive impairment in humans with multiple sclerosis COMT, PNMT, CHAT SIGMAR1 1616/4885TAAR1 86/4885SLC18A2 101/4885
US-20140194524-A1 Methods for Treating Alzheimer's Disease CHAT, ACHE, PNMT SIGMAR1 1971/4885TAAR1 74/4885SLC18A2 17/4885
US-20030232890-A1 Methods for treating an impairment in memory consolidation PNMT, CHAT, DOT1L SIGMAR1 333/4885TAAR1 20/4885SLC18A2 90/4885
US-20050059743-A1 Treatment with particular enantiomers levo-amphetamine or levo-methamphetamine without adverse side effects COMT, PNMT, MAPT SIGMAR1 663/4885TAAR1 39/4885SLC18A2 191/4885
US-20200155687-A1 METHODS OF TREATMENT USING AN AMPHETAMINE PRODRUG PNMT, HNMT, COMT SIGMAR1 1147/4885TAAR1 114/4885SLC18A2 12/4885
US-20130231395-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE CHAT, ACHE, PNMT SIGMAR1 1971/4885TAAR1 74/4885SLC18A2 17/4885
US-20030119884-A1 Methods and compositions for regulating memory consolidation BDNF, CHAT, DCX SIGMAR1 2170/4885TAAR1 944/4885SLC18A2 308/4885
US-20020115725-A1 Methods and compositions for regulating memory consolidation BDNF, CHAT, GAP43 SIGMAR1 2161/4885TAAR1 491/4885SLC18A2 322/4885
US-20120142785-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE ACHE, PNMT, MAPT SIGMAR1 1925/4885TAAR1 156/4885SLC18A2 119/4885

“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.