SCHEMBL2154366

SCHEMBL2154366

NCCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
TAAR1 Q96RJ0 5/20 0.47
HTR2A P28223 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
CYP2D6 P10635 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
SCHEMBL6299244 0.82 SLC6A4 (0.44) ITGB2ICAM1ITGALSLC6A4SLC6A2
SCHEMBL1399191 0.80 HTR2A (0.55) TAAR1HTR2ATRPM8MEN1CYP3A4
SCHEMBL1399414 0.78 HTR2A (0.55) HTR2ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1399281 0.77 HTR2A (0.58) HTR2ATRPM8SLC6A4IDO1MAPT
SCHEMBL1399308 0.77 HTR2A (0.58) HTR2ATRPM8IDO1MAPT
SCHEMBL1399286 0.77 MPO (0.58) HTR2ATRPM8SLC6A4KMT2AIDO1
SCHEMBL4634057 0.77 HTR2A (0.58) HTR2ATRPM8SLC6A4KMT2AIDO1
SCHEMBL3196242 0.77 SLC6A4 (0.46) ITGB2ICAM1ITGALSLC6A4SLC6A2
SCHEMBL1570195 0.77 TAAR1 (0.52) TAAR1HTR2ATRPM8MEN1HSP90AA1
SCHEMBL30496773 0.77 TAAR1 (0.56) TAAR1HTR2ATRPM8MAOBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-06-16 US disclosed
US-9283555-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-03-15 US disclosed
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-07 US disclosed
US-8680003-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-03-25 US disclosed
EP-1904509-A2 DIIMINE METAL COMPLEXES, SYNTHESIS, AND USE IN OLIGOMERIZATION AND POLYMERIZATION Chevron Phillips Chemical Company (US) 2008-04-02 EP disclosed
US-20080004459-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-03 US disclosed
US-20080004441-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-03 US disclosed
US-7271121-B2 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-09-18 US disclosed
US-7268096-B2 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-09-11 US disclosed
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-05-17 US disclosed
WO-2007013931-A2 DIIMINE METAL COMPLEXES, SYNTHESIS, AND USE IN OLIGOMERIZATION AND POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2007-02-01 WO disclosed
US-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-02-01 US disclosed
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-01-25 US disclosed
US-7129304-B1 Dimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2006-10-31 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 (9 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-20070027334-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, AP1M1, AP2M1 ITGB2 2180/4885ICAM1 954/4885ITGAL 1813/4885
US-20080004441-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization PICALM, AP1M1, AP3M1 ITGB2 2570/4885ICAM1 804/4885ITGAL 2141/4885
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 ITGB2 3908/4885ICAM1 4656/4885ITGAL 3375/4885
US-20070021608-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization PICALM, AP1M1, AP3M1 ITGB2 2570/4885ICAM1 804/4885ITGAL 2141/4885
US-20160168180-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ITGB2 3908/4885ICAM1 4656/4885ITGAL 3375/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ITGB2 3908/4885ICAM1 4656/4885ITGAL 3375/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 ITGB2 3908/4885ICAM1 4656/4885ITGAL 3375/4885
US-20080004459-A1 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization PICALM, AP1M1, AP2M1 ITGB2 2301/4885ICAM1 958/4885ITGAL 1856/4885
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, SPR, AP2M1 ITGB2 2917/4885ICAM1 1655/4885ITGAL 2798/4885

“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.