SCHEMBL3334092

SCHEMBL3334092

CN[C@H](CNC(=O)N(C)CC[C@@H](OCCNC(=O)O)c1cccc(Cl)c1)C[C@H]1CCCOC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.57
CYP3A4 P08684 3/20 0.50
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL499779 0.98 REN (0.55) RENCYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL4789610 0.98 REN (0.55) RENCYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL10253693 0.94 REN (0.65) RENCYP3A4
SCHEMBL3331919 0.93 REN (0.49) RENCYP3A4BRD4CREBBPALDH1A1
SCHEMBL499595 0.92 REN (0.54) RENCYP3A4BRD4CREBBPALDH1A1
SCHEMBL10254125 0.92 REN (0.63) RENCYP3A4
SCHEMBL499665 0.91 REN (0.57) RENCYP3A4
SCHEMBL4753688 0.91 REN (0.57) RENCYP3A4
SCHEMBL499157 0.90 REN (0.52) RENCYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL12876922 0.89 REN (0.63) RENCYP3A4

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-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US claimed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885CYP3A4 1848/4885BRD4 1278/4885

“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.