SCHEMBL770546

SCHEMBL770546

CN(C)CCOCCN(C=O)CCOCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
USP2 O75604 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ALDH1A1 P00352 2/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL785058 0.92 CA12 (0.35) CA12CA1CA2CA9USP2
SCHEMBL11946876 0.81 CA12 (0.39) CA12CA1CA2CA9USP2
SCHEMBL2500023 0.81 ADH1A (0.33)
Formic Acid SCHEMBL2960819 0.80 CA12 (0.47) CA12CA1CA2CA9USP2
SCHEMBL9574397 0.79 ALOX15 (0.39) ALDH1A1TSHR
SCHEMBL8745522 0.79 CA2 (0.34) CA2
SCHEMBL15091 0.79 CA12 (0.52) CA12CA1CA2CA9USP2
SCHEMBL2498188 0.78 ALOX15 (0.41) ALDH1A1TSHR
SCHEMBL4634763 0.77 TSHR (0.43) ALDH1A1TSHR
SCHEMBL16995392 0.77 PIK3CD (0.34) CA12CA2CA9CHRM2CHRM4

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
EP-2646489-B1 BLOWING CATALYST HUNTSMAN CORP HUNGARY ZRT (HU) 2018-07-04 EP disclosed
EP-2646489-B1 BLOWING CATALYST HUNTSMAN CORP HUNGARY ZRT (HU) 2018-07-04 EP disclosed
US-9382397-B2 Blowing catalyst Huntsman Corporation Hungary ZRt (HU) 2016-07-05 US disclosed
US-9382397-B2 Blowing catalyst Huntsman Corporation Hungary ZRt (HU) 2016-07-05 US disclosed
EP-2438038-B1 PROCESS FOR THE PREPARATION OF SECONDARY OR TERTIARY AMINES HUNTSMAN CORP HUNGARY ZRT (HU) 2016-04-20 EP disclosed
EP-2438038-B1 PROCESS FOR THE PREPARATION OF SECONDARY OR TERTIARY AMINES HUNTSMAN CORP HUNGARY ZRT (HU) 2016-04-20 EP disclosed
US-8822729-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-09-02 US disclosed
US-8822729-B2 Method for providing a secondary or tertiary amine HUNTSMAN INTERNATIONAL LLC (US) 2014-09-02 US disclosed
US-20140155655-A1 Method for providing a secondary or tertiary amine Huntsman Corporation Hungary ZRt (HU) 2014-06-05 US disclosed
US-20140155655-A1 Method for providing a secondary or tertiary amine Huntsman Corporation Hungary ZRt (HU) 2014-06-05 US disclosed
EP-2646489-A1 BLOWING CATALYST Huntsman Corporation Hungary ZRt. (HU) 2013-10-09 EP disclosed
US-20130261199-A1 Blowing Catalyst Huntsman Corporation Hungary ZRt (HU) 2013-10-03 US disclosed
US-20130261199-A1 Blowing Catalyst Huntsman Corporation Hungary ZRt (HU) 2013-10-03 US disclosed
WO-2012072441-A1 BLOWING CATALYST HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2012-06-07 WO disclosed
WO-2012072441-A1 BLOWING CATALYST HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2012-06-07 WO disclosed
EP-2438038-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE Huntsman Corporation Hungary ZRt. (HU) 2012-04-11 EP disclosed
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine Huntsman Corporation Hungary ZRt (HU) 2012-03-22 US disclosed
US-20120071622-A1 Method for Providing a Secondary or Tertiary Amine Huntsman Corporation Hungary ZRt (HU) 2012-03-22 US disclosed
WO-2010139521-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 WO disclosed
WO-2010139521-A1 A METHOD FOR PROVIDING A SECONDARY OR TERTIARY AMINE HUNTSMAN CORPORATION HUNGARY ZRT. (HU) 2010-12-09 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 (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-20120071622-A1 Method for Providing a Secondary or Tertiary Amine HRH3, HRH4, NPR3 CA12 2348/4885CA1 2782/4885CA2 1997/4885
US-20140155655-A1 Method for providing a secondary or tertiary amine HRH3, HRH4, GLRA3 CA12 2557/4885CA1 2923/4885CA2 2129/4885

“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.