SCHEMBL3374678

SCHEMBL3374678

COc1ccc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CNC(=O)C(c2ccccc2)C2CC2)C(C)C)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.47
CYP3A4 P08684 4/20 0.46
ADRA1A P35348 3/20 0.46
KCNH2 Q12809 3/20 0.46
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
OPRM1 P35372 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL3375075 0.92 REN (0.57) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3406595 0.85 REN (0.60) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3371517 0.85 REN (0.49) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3374673 0.82 REN (0.49) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3372336 0.80 REN (0.40) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL2936434 0.79 REN (0.57) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL2936436 0.79 REN (0.57) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3373860 0.79 REN (0.39) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL2934522 0.78 REN (0.64) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL2929401 0.78 REN (0.60) RENCYP3A4ADRA1AKCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20080194549-A1 Organic Compounds REN, ACE, OTC REN 1/4885CYP3A4 218/4885ADRA1A 946/4885

“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.