SCHEMBL668944

SCHEMBL668944

C=CCN(Cc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
SLC6A2 P23975 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC6A4 P31645 1/20 0.42
OPRK1 P41145 1/20 0.42
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
NPBWR1 P48145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 1/20 0.40
PYCR1 P32322 1/20 0.40

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
Bromide SCHEMBL728361 0.98 SIGMAR1 (0.41) SIGMAR1TSHRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4558480 0.98 SIGMAR1 (0.41) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL20871298 0.84 CNR2 (0.45) ALDH1A1SLC6A2SLC6A4OPRK1PYCR1
SCHEMBL29335402 0.82 PYCR1 (0.62) TSHRALDH1A1OPRK1PYCR1OPRM1
SCHEMBL3635237 0.82 TSHR (0.54) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL20871293 0.80 PYCR1 (0.47) SIGMAR1KMT2AMEN1PYCR1
SCHEMBL20871275 0.80 APLNR (0.53) TSHRKMT2AMEN1ALDH1A1SLC6A4
SCHEMBL4448249 0.80 GAA (0.40) TSHRKMT2AALDH1A1GAAHPGD
SCHEMBL9830076 0.79 MEN1 (0.39) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL26243212 0.79 KMT2A (0.44) SIGMAR1TSHRKMT2AMEN1ALDH1A1

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 17 patents. 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
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2017-11-23 US disclosed
CN-103271083-B Multi-functional ionic liquid compositions 阿拉巴马大学 2017-08-11 CN 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-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
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
CN-1128793-C N, N-di-substituted-2,3-epoxy propylamine, its prepn. process and applications SHANGHAI INST ORGANIC CHEM (CN) 2003-11-26 CN disclosed
CN-1221742-A N, N-di-substituted-2,3-epoxy propylamine, its prepn. process and applications SHANGHAI INST ORGANIC CHEM (CN) 1999-07-07 CN 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 (6 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 2995/4885TSHR 4253/4885KMT2A 4574/4885
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 2995/4885TSHR 4253/4885KMT2A 4574/4885
US-20170332633-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 2485/4885TSHR 2475/4885KMT2A 460/4885
US-20130109572-A1 HERBICIDAL COMPOSITIONS AND METHODS OF USE DDT, ACHE, CAT SIGMAR1 1976/4885TSHR 3275/4885KMT2A 2859/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 SIGMAR1 3634/4885TSHR 3455/4885KMT2A 4341/4885
US-20190269130-A1 DOUBLE SALT IONIC LIQUIDS OF HERBICIDES SLC6A9, DDT, SLC6A5 SIGMAR1 1615/4885TSHR 2324/4885KMT2A 508/4885

“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.