SCHEMBL4965133

SCHEMBL4965133

N#Cc1ccc(NP(N)(=O)N2CCC[C@H](N)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.50
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX1 P07099 1/20 0.34
MMP2 P08253 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
FPR2 P25090 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ROCK2 O75116 1/20 0.32

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
SCHEMBL4966944 0.85 DPP4 (0.54) DPP4EPHX1RAB9A
SCHEMBL4966724 0.84 DPP4 (0.53) DPP4HDAC1HDAC8HDAC6NPC1
SCHEMBL4964917 0.84 DPP4 (0.56) DPP4EPHX1RAB9A
SCHEMBL4963263 0.84 DPP4 (0.53) DPP4NPC1RAB9A
SCHEMBL4963531 0.83 DPP4 (0.56) DPP4NPC1RAB9ACA1
SCHEMBL4966659 0.81 DPP4 (0.50) DPP4MMP2
SCHEMBL4968944 0.81 DPP4 (0.53) DPP4HDAC1HDAC8HDAC6NPC1
SCHEMBL4964297 0.80 DPP4 (0.49) DPP4EPHX1MMP2CA1ROCK2
SCHEMBL4966920 0.78 DPP4 (0.50) DPP4NPC1RAB9A
SCHEMBL4968301 0.74 DPP4 (0.46) DPP4

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 8/4885HDAC1 559/4885HDAC8 941/4885

“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.