SCHEMBL2339905

SCHEMBL2339905

Cc1ccccc1CC(N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL8410577 1.00 SCN4A (0.51) SCN4ASLC6A2SLC6A4GRIN2DGRIN3B
SCHEMBL3282320 0.81 PNMT (0.44) SCN4ASLC6A2SLC6A4
SCHEMBL6748010 0.80 TAAR1 (0.45) SCN4ASLC6A2SLC6A4TAAR1
SCHEMBL12706135 0.80 TAAR1 (0.45) SCN4ASLC6A2SLC6A4TAAR1
SCHEMBL12706026 0.80 TAAR1 (0.45) SCN4ASLC6A2SLC6A4TAAR1
SCHEMBL4981770 0.78 TACR1 (0.59) SCN4A
SCHEMBL9054723 0.78 GRIN2D (0.47) SCN4AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6547026 0.78 SLC6A2 (0.49) SLC6A2SLC6A4TAAR1
Ortetamine SCHEMBL209899 0.77 TAAR1 (0.52) SLC6A2SLC6A4TAAR1
Ortetamine SCHEMBL3460028 0.77 TAAR1 (0.52) SLC6A2SLC6A4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360160-B1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO CO LTD (JP) 2013-07-24 EP claimed
EP-2360160-A1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-24 EP claimed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
US-7087778-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US claimed
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. 2005-02-03 US claimed
EP-1211254-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP claimed
EP-0208948-A2 A method for optical resolution of phenylacetic acid derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-21 EP claimed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
EP-1211254-B1 Process for the preparation of benzoxazine derivatives and intermediates therefor DAIICHI SANKYO CO LTD (JP) 2014-05-07 EP disclosed
EP-2284174-B1 Intermediates for the preparation of benzoxazine derivatives and process for their preparation DAIICHI SANKYO CO LTD (JP) 2014-03-05 EP disclosed
EP-2360160-B1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO CO LTD (JP) 2013-07-24 EP disclosed
EP-0092194-B1 METHOD OF OBTAINING OPTICALLY ACTIVE HALF ESTERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-08 EP disclosed
EP-0220435-A1 A method for preparing optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-06 EP disclosed
EP-0093511-B1 METHOD FOR PRODUCING AND OPTICALLY ACTIVE 2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-24 EP disclosed
EP-0060466-B1 METHOD FOR OPTICAL RESOLUTION OF 2-(4-CHLOROPHENYL)-3-METHYL-BUTANOIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-11 EP disclosed
EP-0092194-A1 Method of obtaining optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-26 EP disclosed
US-4246424-A IN PRESENCE OF ALKALI METAL AND POLYCYCLIC AROMATIC HYDROCARBON SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-20 US disclosed
US-4158016-A CONTACTING WITH AN ALKALI METAL POLYCYCLIC AROMATIC HYDROCARBON CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-06-12 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-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 SCN4A 2534/4885SLC6A2 3350/4885SLC6A4 3506/4885
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK SCN4A 1475/4885SLC6A2 1974/4885SLC6A4 1623/4885

“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.