SCHEMBL4296754

SCHEMBL4296754

COCCCOc1cc(C[C@@H](C[C@@H]2CNC[C@H]2CN(C(=O)C2CCOCC2)C2CC2)C(C)C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
CYP3A4 P08684 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 2/20 0.46

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
SCHEMBL3913621 0.90 REN (0.48) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3918706 0.90 REN (0.55) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL3913619 0.90 REN (0.48) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL4305013 0.86 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL3984467 0.86 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4305025 0.86 REN (0.51) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4301773 0.86 REN (0.44) RENCYP3A4
SCHEMBL4301776 0.86 REN (0.44) RENCYP3A4
SCHEMBL3920929 0.84 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A
SCHEMBL4302820 0.84 REN (0.55) RENHTR1AADRA1DHTR2AADRA1A

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-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 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-20090270417-A1 Organic Compounds REN, ACE, OTC REN 1/4885CYP3A4 173/4885HTR1A 2983/4885

“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.