SCHEMBL4429973

SCHEMBL4429973

CNC[C@@H](O)[C@H](CC1CCOCC1)NC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.32
REN P00797 5/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL4429975 1.00 CTSD (0.32) CTSDRENMEN1KMT2APSEN1
SCHEMBL4429976 1.00 CTSD (0.32) CTSDRENMEN1KMT2APSEN1
SCHEMBL12920129 0.83 CTSK (0.41) CTSDRENKMT2A
SCHEMBL973034 0.76 REN (0.33) REN
SCHEMBL7312864 0.74 PSEN1 (0.38) RENKMT2APSEN1PSEN2APH1B
SCHEMBL973035 0.73
SCHEMBL973033 0.73
SCHEMBL8577758 0.73 CYP2D6 (0.41) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL4441532 0.71 CTSL (0.31)
SCHEMBL4972360 0.70 CNR2 (0.32) CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 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-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 CTSD 190/4885REN 13/4885MEN1 3019/4885

“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.