SCHEMBL2333573

SCHEMBL2333573

Cc1ccc(C[C@H](N)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TACR1 P25103 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 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

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
SCHEMBL924299 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL248882 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL2785511 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CYP2C19TACR1SMN1; SMN2
SCHEMBL3282010 0.92 SLC6A2 (0.52) CYP2D6CYP1A2CYP2C19TACR1SLC6A2
SCHEMBL12706002 0.90 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL10804153 0.90 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
Lactic Acid SCHEMBL7771136 0.87 PSMB5 (0.48) CYP2D6CYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL468022 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL272604 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1
SCHEMBL3451169 0.85 EPHX1 (0.61) CYP2D6CYP1A2CYP2C19SLC6A2TAAR1

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 88 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-2218722-B9 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP claimed
EP-2218722-B1 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI SANKYO CO LTD (JP) 2013-03-13 EP claimed
EP-2360160-A1 Intermediates and their use for producing benzoxazine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-24 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-0763513-B1 Production of optically active 2-halo-1-(substituted phenyl)-ethanol and substituted styrene oxide NIHON NOHYAKU CO LTD (JP) 2001-11-14 EP claimed
JP-11279111-A None JP disclosed
JP-11199542-A None JP disclosed
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 US disclosed
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2014-11-27 US 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-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0105745-B1 PACKING MATERIALS FOR CHROMATOGRAPHIC USE AND THEIR EMPLOYMENT IN ANALYSING ENANTIOMERIC MIXTURES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-16 EP disclosed
US-4512898-A ORGANOSILANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-23 US disclosed
EP-0105745-A2 Packing materials for chromatographic use and their employment in analysing enantiomeric mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP 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 (3 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-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R CYP2D6 96/4885CYP1A2 247/4885CYP2C19 35/4885
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 CYP2D6 7/4885CYP1A2 15/4885CYP2C19 2/4885
US-20050027119-A1 Process for producing benzoxazine derivative and production intermediate thereof CYP4Z1, COASY, VAT1 CYP2D6 29/4885CYP1A2 16/4885CYP2C19 41/4885

“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.