SCHEMBL16768640

SCHEMBL16768640

N[C@@H]1CCCC[C@H]1NCCP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALPG P10696 1/20 0.41
ALOX12 P18054 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL16768635 0.79 SSTR3 (0.44) ALDH1A1MAPTGAANPSR1ALPG
SCHEMBL17345944 0.76 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL18677976 0.76 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL18674517 0.76 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL18677975 0.76 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL16768639 0.71 KDM1A (0.35) ANPEPERAP2ALDH1A1MAPTKDM4E
SCHEMBL22810501 0.71 KDM1A (0.35) ANPEPERAP2ALDH1A1MAPTKDM4E
SCHEMBL8038053 0.70 KDM1A (0.50) MEN1KMT2A
SCHEMBL11562884 0.70 KDM1A (0.50) MEN1KMT2A
SCHEMBL6685748 0.70 KDM1A (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
US-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
US-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-04 US disclosed
US-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-04 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-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS PNN, NCL, IDH2 ANPEP 1584/4885ERAP2 3563/4885ALDH1A1 1384/4885

“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.