SCHEMBL3020151

SCHEMBL3020151

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 5/20 0.39
AOC3 Q16853 1/20 0.35
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1466302 0.80 SLC6A2 (0.38) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL31588 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL30147 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL29178 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL18832827 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12584889 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL4249541 0.79 TDP1 (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL28291453 0.78 TAAR1 (0.37) DPP4ADRA2AADRA2CLMNAHIF1A
SCHEMBL30366682 0.77 TDP1 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL77070 0.77 DPP4 (0.68) DPP4ADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 DPP4 3995/4885ADRA2A 3778/4885ADRA2C 3934/4885

“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.