SCHEMBL491284

SCHEMBL491284

COc1ccc(CC2(N)CNCCNC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SLC6A4 P31645 1/20 0.40
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL1824702 0.80 MAOB (0.55) IDO1AGXTTAAR1SLC6A4MAOB
Hydrochloric Acid SCHEMBL30293103 0.79 MAOB (0.53) IDO1AGXTTAAR1SLC6A4MAOB
SCHEMBL1822033 0.77 MAOB (0.47) IDO1AGXTTAAR1SLC6A4MAOB
SCHEMBL491264 0.77 MAOA (0.61) SLC6A4MAOBCYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL3966019 0.76 IDO1 (0.47) IDO1AGXTTAAR1SLC6A4MAOB
SCHEMBL1824988 0.76 SLC6A4 (0.46) IDO1AGXTTAAR1SLC6A4MAOB
SCHEMBL3265371 0.75 IDO1 (0.45) IDO1AGXTTAAR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3967323 0.75 IDO1 (0.46) IDO1AGXTTAAR1SLC6A4MAOB
SCHEMBL7744524 0.73 CXCR4 (0.37) MAOBSMN1; SMN2ALDH1A1
SCHEMBL10462019 0.72 ALDH1A1 (0.44) IDO1AGXTSMN1; SMN2ALDH1A1LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2047841-B1 HAIR DYE COMPOSITION KAO CORP (JP) 2016-10-26 EP disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7753965-B2 Hair dye composition KAO CORPORATION (JP) 2010-07-13 US disclosed
US-7753965-B2 Hair dye composition KAO CORPORATION (JP) 2010-07-13 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
US-20100000564-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-01-07 US disclosed
US-20100000564-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-01-07 US disclosed
EP-2047841-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2009-04-15 EP disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 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 (4 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-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 IDO1 2174/4885AGXT 3057/4885TAAR1 307/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 IDO1 1949/4885AGXT 3564/4885TAAR1 391/4885
US-20100000564-A1 HAIR DYE COMPOSITION COXFA4L2, TYR, PAH IDO1 401/4885AGXT 353/4885TAAR1 547/4885
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ IDO1 2591/4885AGXT 3977/4885TAAR1 876/4885

“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.