SCHEMBL667263

SCHEMBL667263

CCCCCCCCCCCCCCN(Cc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
KCNH2 Q12809 5/20 0.50
CNR2 P34972 2/20 0.47
ACKR3 P25106 1/20 0.44
OPRK1 P41145 2/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42
DNM1 Q05193 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL27706375 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL27727257 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL667946 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL667520 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL11258123 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL23308021 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
SCHEMBL666712 1.00 SIGMAR1 (0.51) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1330552 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Hydrochloric Acid SCHEMBL1330330 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1
Bromide SCHEMBL1330634 0.98 SIGMAR1 (0.50) SIGMAR1KCNH2CNR2ACKR3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2019-09-05 US disclosed
EP-3068764-B1 PROCESS FOR FLUORINATING COMPOUNDS DOW AGROSCIENCES LLC (US) 2019-02-20 EP disclosed
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-11-23 US disclosed
US-9493415-B2 Process for fluorinating compounds DOW AGROSCIENCES LLC (US) 2016-11-15 US disclosed
EP-3068764-A1 PROCESS FOR FLUORINATING COMPOUNDS Dow AgroSciences LLC (US) 2016-09-21 EP disclosed
WO-2016077290-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-05-19 WO disclosed
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20150141654-A1 PROCESS FOR FLUORINATING COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-05-21 US disclosed
WO-2015073525-A1 PROCESS FOR FLUORINATING COMPOUNDS DOW AGROSCIENCES LLC (US) 2015-05-21 WO disclosed
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2013-05-02 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
WO-2012074988-A1 ROTIGOTINE IONIC LIQUID RATIOPHARM GMBH (DE) 2012-06-07 WO disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
WO-2012006313-A2 HERBICIDAL COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-01-12 WO disclosed
WO-2010078300-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2010-07-08 WO disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 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 (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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK SIGMAR1 2995/4885KCNH2 3716/4885CNR2 3475/4885
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK SIGMAR1 2995/4885KCNH2 3716/4885CNR2 3475/4885
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 2485/4885KCNH2 659/4885CNR2 3522/4885
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT SIGMAR1 1976/4885KCNH2 1525/4885CNR2 2546/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 SIGMAR1 3634/4885KCNH2 2003/4885CNR2 1095/4885
US-20150141654-A1 PROCESS FOR FLUORINATING COMPOUNDS KCNH3, PFAS, NAF1 SIGMAR1 616/4885KCNH2 10/4885CNR2 4424/4885
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 1615/4885KCNH2 722/4885CNR2 3017/4885

“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.