SCHEMBL4535488

SCHEMBL4535488

C[C@H](O)c1cc(Cl)c(O[C@@H]2CCN(c3ncc(C[C@@H](CN)C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)s3)C2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.49
CYP3A4 P08684 4/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4527726 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4532522 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4527505 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4527720 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4527501 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4527507 1.00 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4523685 0.93 REN (0.57) RENCYP3A4
SCHEMBL4530944 0.93 REN (0.57) RENCYP3A4
SCHEMBL4523680 0.93 REN (0.57) RENCYP3A4
SCHEMBL4537342 0.93 REN (0.49) RENCYP3A4SLC6A2SLC6A4SLC6A3

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-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 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-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885CYP3A4 534/4885SLC6A2 73/4885

“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.