SCHEMBL4433209

SCHEMBL4433209

N[C@@H](CC1CCCCC1)C(O)CNC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.50
METAP2 P50579 9/20 0.47
METAP1 P53582 6/20 0.47
CYP2D6 P10635 1/20 0.46
BCHE P06276 3/20 0.37

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
SCHEMBL4441935 1.00 REN (0.50) RENMETAP2METAP1CYP2D6BCHE
SCHEMBL4433202 1.00 REN (0.50) RENMETAP2METAP1CYP2D6BCHE
SCHEMBL9439332 0.84 METAP2 (0.48) RENMETAP2METAP1CYP2D6BCHE
SCHEMBL3599048 0.81 CYP2D6 (0.50) RENMETAP2METAP1CYP2D6
SCHEMBL3599047 0.81 CYP2D6 (0.50) RENMETAP2METAP1CYP2D6
SCHEMBL27689737 0.81 CYP2D6 (0.50) RENMETAP2METAP1CYP2D6
SCHEMBL8577758 0.79 CYP2D6 (0.41) RENMETAP2METAP1CYP2D6BCHE
SCHEMBL21690082 0.78 REN (0.47) RENMETAP2METAP1
SCHEMBL7151431 0.78 REN (0.47) RENMETAP2METAP1
SCHEMBL272993 0.78 REN (0.47) RENMETAP2METAP1

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-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
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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 REN 13/4885METAP2 20/4885METAP1 12/4885

“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.