SCHEMBL667241

SCHEMBL667241

N[C@@H](c1ccccc1)[C@H](c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
F2 P00734 1/20 0.42
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12700905 1.00 DPP4 (0.54) DPP4F2CYP3A4TDP1HTR2A
SCHEMBL3022672 1.00 DPP4 (0.54) DPP4F2CYP3A4TDP1HTR2A
SCHEMBL13211530 1.00 DPP4 (0.54) DPP4F2CYP3A4TDP1HTR2A
SCHEMBL13211529 1.00 DPP4 (0.54) DPP4F2CYP3A4TDP1HTR2A
SCHEMBL3025348 0.81 ADRA2A (0.47) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL2967801 0.81 ADRA2A (0.47) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL2967803 0.81 ADRA2A (0.47) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL3020151 0.77 DPP4 (0.52) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL18219540 0.76 TAAR1 (0.39) CYP3A4TDP1TAAR1ADRA2AADRA2C
SCHEMBL4369978 0.76 TAAR1 (0.37) DPP4CYP3A4TDP1TAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029216-A2 METHOD FOR PRODUCING AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 US disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 US disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 US disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-8658825-B2 Method for the preparation of aminophosphine ligands and their use in metal catalysts KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-02-25 US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 US disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 US disclosed
WO-2010043027-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-04-22 WO disclosed
WO-2010043027-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-04-22 WO disclosed
WO-2008148202-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-12-11 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-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST INPP5B, DNPEP, AOC1 DPP4 596/4885F2 858/4885CYP3A4 2744/4885
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 DPP4 3995/4885F2 415/4885CYP3A4 3510/4885

“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.