SCHEMBL3392456

SCHEMBL3392456

CN[C@@H](C)Cc1ccc(CCCCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SIGMAR1 Q99720 6/20 0.50
TAAR1 Q96RJ0 2/20 0.50
SLC18A2 Q05940 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR2 O95136 2/20 0.49
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL13018307 1.00 MAPT (0.56) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL13311947 1.00 MAPT (0.56) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL3487964 0.98 MAPT (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL7603758 0.98 MAPT (0.53) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL8475325 0.97 MAPT (0.51) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL8475327 0.97 MAPT (0.51) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL3391414 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL11235453 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
SCHEMBL13311943 0.94 HSD17B10 (0.54) MAPTRXFP1SIGMAR1TAAR1SLC18A2
Hydrochloric Acid SCHEMBL3487407 0.92 HSD17B10 (0.53) MAPTRXFP1SIGMAR1TAAR1SLC18A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550201-B2 Antibody-nanoparticle conjugates for the treatment of drug abuse BIOVENTURES, LLC (US) 2020-02-04 US disclosed
EP-2140263-B1 HAPTEN COMPOUNDS AND COMPOSITIONS AND USES THEREOF UNIV ARKANSAS (US) 2017-01-04 EP disclosed
US-9303092-B2 Methamphetamine-like hapten compounds, linkers, carriers and compositions and uses thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-04-05 US disclosed
US-8853146-B2 Hapten compounds and compositions and uses thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2014-10-07 US disclosed
US-20130296537-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2013-11-07 US disclosed
EP-2032602-B1 MONOCLONAL ANTIBODIES THAT SELECTIVELY RECOGNIZE METHAMPHETAMINE AND METHAMPHETAMINE LIKE COMPOUNDS UNIV ARKANSAS (US) 2013-03-27 EP disclosed
US-8299222-B2 Methamphetamine-like hapten compounds, linkers, carriers and compositions and uses thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2012-10-30 US disclosed
US-7858756-B2 Monoclonal antibodies that selectively recognize methamphetamine and methamphetamine like compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2010-12-28 US disclosed
US-20100143391-A1 HAPTEN COMPOUNDS AND COMPOSITIONS AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2010-06-10 US disclosed
US-20100055126-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2010-03-04 US disclosed
EP-2140263-A1 HAPTEN COMPOUNDS AND COMPOSITIONS AND USES THEREOF Board of Trustees of the University of Arkansas (US) 2010-01-06 EP disclosed
US-7632929-B2 Methamphetamine-like hapten compounds, linkers, carriers and compositions and uses thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2009-12-15 US disclosed
EP-2032602-A2 MONOCLONAL ANTIBODIES THAT SELECTIVELY RECOGNIZE METHAMPHETAMINE AND METHAMPHETAMINE LIKE COMPOUNDS The Board of Trustees of the University of Arkansas System (US) 2009-03-11 EP disclosed
WO-2008131216-A1 HAPTEN COMPOUNDS AND COMPOSITIONS AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2008-10-30 WO disclosed
US-20080125579-A1 MONOCLONAL ANTIBODIES THAT SELECTIVELY RECOGNIZE METHAMPHETAMINE AND METHAMPHETAMINE LIKE COMPOUNDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2008-05-29 US disclosed
WO-2007147122-A2 MONOCLONAL ANTIBODIES THAT SELECTIVELY RECOGNIZE METHAMPHETAMINE AND METHAMPHETAMINE LIKE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2007-12-21 WO disclosed
US-20070238653-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2007-10-11 US disclosed
US-20030119083-A1 Monoclonal antibody antagonists for treating medical problems associated with d-amphetamine-like drugs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-26 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 (7 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-20080125579-A1 MONOCLONAL ANTIBODIES THAT SELECTIVELY RECOGNIZE METHAMPHETAMINE AND METHAMPHETAMINE LIKE COMPOUNDS MAG, PNMT, MAP2 MAPT 30/4885RXFP1 4392/4885SIGMAR1 759/4885
US-20130296537-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF DDT, MAG, TAAR5 MAPT 35/4885RXFP1 3832/4885SIGMAR1 600/4885
US-20100055126-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF DDT, MAG, TAAR5 MAPT 35/4885RXFP1 3832/4885SIGMAR1 600/4885
US-20030119083-A1 Monoclonal antibody antagonists for treating medical problems associated with d-amphetamine-like drugs PNMT, EPHA5, EPHB1 MAPT 194/4885RXFP1 3129/4885SIGMAR1 55/4885
US-20070238653-A1 METHAMPHETAMINE-LIKE HAPTEN COMPOUNDS, LINKERS, CARRIERS AND COMPOSITIONS AND USES THEREOF DDT, MAG, TAAR5 MAPT 35/4885RXFP1 3832/4885SIGMAR1 600/4885
US-10550201-B2 Antibody-nanoparticle conjugates for the treatment of drug abuse CES2, SLC6A3, OPRM1 MAPT 31/4885RXFP1 4000/4885SIGMAR1 109/4885
US-20100143391-A1 HAPTEN COMPOUNDS AND COMPOSITIONS AND USES THEREOF DDT, TAAR5, MLLT1 MAPT 76/4885RXFP1 4166/4885SIGMAR1 515/4885

“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.