SCHEMBL4965260

SCHEMBL4965260

N[C@H]1CCCN(P(N)(=O)NCc2cccnc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
VNN1 O95497 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRNA7 P36544 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4966621 0.90 ALDH1A1 (0.42) DPP4ALDH1A1KDM4EPKMVNN1
SCHEMBL4964481 0.86 DPP4 (0.52) DPP4ALDH1A1PKMHRH3CYP2C9
SCHEMBL4965226 0.75 DPP4 (0.44) DPP4ALDH1A1PKMHRH3CYP2C9
SCHEMBL4968360 0.71 DPP4 (0.57) DPP4TSHR
SCHEMBL4967596 0.70 DPP4 (0.51) DPP4L3MBTL1
SCHEMBL5638492 0.70 CHRNB2 (0.52) ALDH1A1KDM4EPKMCHRNB2CHRNA4
SCHEMBL12493548 0.70 CHRNB2 (0.52) ALDH1A1KDM4EPKMCHRNB2CHRNA4
SCHEMBL4963531 0.70 DPP4 (0.56) DPP4ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL4965777 0.70 DPP4 (0.59) DPP4TSHR
SCHEMBL4966610 0.69 DPP4 (0.49) DPP4ALDH1A1PKMCYP2C19

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
EP-1489088-B1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE NIPPON KAYAKU KK (JP) 2008-08-13 EP disclosed
US-7348318-B2 α-Amino-N-(diaminophosphinyl)lactam derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-03-25 US disclosed
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-28 US disclosed
EP-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 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 (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-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP DPP4 8/4885ALDH1A1 1438/4885KDM4E 1687/4885

“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.