SCHEMBL970741

SCHEMBL970741

CC(Cc1ccccc1)Nc1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.66
SIGMAR1 Q99720 4/20 0.66
SLC6A4 P31645 3/20 0.66
SLC6A2 P23975 2/20 0.66
MAOA P21397 1/20 0.66
SLC6A3 Q01959 1/20 0.66
CYP2A6 P11509 1/20 0.66
ADORA2A P29274 1/20 0.66
ADORA1 P30542 1/20 0.66
SLC18A2 Q05940 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 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
SCHEMBL903704 0.85 SIGMAR1 (0.63) TAAR1SIGMAR1SLC18A2ALDH1A1CYP3A4
SCHEMBL29020992 0.82 SIGMAR1 (0.55) TAAR1SIGMAR1SLC18A2ALDH1A1CYP3A4
Levamfetamine SCHEMBL9673275 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL13746679 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL8858 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL13747801 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL15094242 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Dextroamphetamine SCHEMBL8859 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL1560962 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA
Amphetamine SCHEMBL910141 0.81 SLC6A2 (1.00) TAAR1SIGMAR1SLC6A4SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130195935-A1 ABUSE-PROOFED DOSAGE FORM GRUNENTHAL GMBH (DE) 2013-08-01 US claimed
US-20120308654-A1 ABUSE-PROOFED DOSAGE FORM GRUNENTHAL GMBH (DE) 2012-12-06 US claimed
US-7776314-B2 Abuse-proofed dosage system GRUNENTHAL GMBH (DE) 2010-08-17 US claimed
US-20050152843-A1 Abuse-proofed dosage form GRUNENTHAL GMBH (DE) 2005-07-14 US claimed
US-20150182464-A1 PROCESS FOR THE PRODUCTION OF AN ABUSE-PROOFED SOLID DOSAGE FORM GRUENENTHAL GMBH (DE) 2015-07-02 US disclosed
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 US disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 US disclosed
US-20070065365-A1 Abuse-resistant transdermal system GRUENENTHAL GMBH (DE) 2007-03-22 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 (2 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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 TAAR1 34/4885SIGMAR1 35/4885SLC6A4 13/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 TAAR1 161/4885SIGMAR1 134/4885SLC6A4 41/4885

“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.