SCHEMBL2845457

SCHEMBL2845457

COCCCCC(O)(c1ccccc1-c1ccccc1Cl)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.63
CYP3A4 P08684 1/20 0.56

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
SCHEMBL5504188 1.00 REN (0.63) RENCYP3A4
SCHEMBL1859127 0.90 REN (0.59) RENCYP3A4
SCHEMBL13250137 0.90 REN (0.59) RENCYP3A4
SCHEMBL1859124 0.90 REN (0.59) RENCYP3A4
SCHEMBL4754618 0.89 REN (0.69) RENCYP3A4
SCHEMBL4295605 0.88 REN (0.61) RENCYP3A4
SCHEMBL4295601 0.88 REN (0.61) RENCYP3A4
SCHEMBL4301567 0.88 REN (0.61) RENCYP3A4
SCHEMBL4305939 0.87 REN (0.74) RENCYP3A4
SCHEMBL4298251 0.87 REN (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100280005-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-11-04 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 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 (4 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885CYP3A4 2462/4885
US-20100280005-A1 Renin Inhibitors REN, ACE, AGTR1 REN 1/4885CYP3A4 2618/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 REN 1/4885CYP3A4 2575/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP REN 2/4885CYP3A4 3137/4885

“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.