SCHEMBL5942101

SCHEMBL5942101

O=C(C1=C(c2ccc(CCCOc3c(F)ccc(F)c3F)cc2)CCNC1)N(Cc1cccc(Cl)c1Cl)C1CC1

nearest known ligand 0.92

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.92
CYP3A4 P08684 3/20 0.92
CTSD P07339 1/20 0.64
CTSE P14091 1/20 0.64

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
Formic Acid SCHEMBL5941575 0.97 REN (0.87) RENCYP3A4CTSDCTSE
SCHEMBL5941603 0.92 REN (0.77) RENCYP3A4CTSDCTSE
SCHEMBL5942218 0.91 CYP3A4 (0.77) RENCYP3A4CTSDCTSE
SCHEMBL5942086 0.90 REN (0.75) RENCYP3A4CTSDCTSE
SCHEMBL5942318 0.89 REN (0.76) RENCYP3A4
Formic Acid SCHEMBL5942110 0.89 REN (0.73) RENCYP3A4CTSDCTSE
Formic Acid SCHEMBL5942204 0.89 CYP3A4 (0.73) RENCYP3A4CTSDCTSE
SCHEMBL5941780 0.88 REN (0.75) RENCYP3A4
SCHEMBL5941914 0.88 REN (0.72) RENCYP3A4
SCHEMBL5941689 0.88 CYP3A4 (0.76) RENCYP3A4CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US claimed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP claimed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO claimed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 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-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 REN 1/4885CYP3A4 181/4885CTSD 77/4885

“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.