SCHEMBL4499490

SCHEMBL4499490

COCCCOc1cc(CN(C(=O)C2CNCC(NC(=O)NCc3ccccc3)C2)C2CC2)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.55
KCNH2 Q12809 3/20 0.40
CYP3A4 P08684 2/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL1913300 1.00 REN (0.55) RENKCNH2CYP3A4ADRA2AADRA2B
SCHEMBL1913297 0.88 REN (0.57) RENKCNH2
SCHEMBL4505314 0.88 REN (0.57) RENKCNH2
SCHEMBL4504563 0.86 REN (0.61) RENKCNH2
SCHEMBL1913298 0.86 REN (0.59) RENKCNH2
SCHEMBL4500444 0.86 REN (0.59) RENKCNH2
SCHEMBL1913301 0.86 REN (0.61) RENKCNH2
SCHEMBL4502883 0.85 REN (0.48) RENKCNH2CYP3A4
SCHEMBL1913303 0.85 REN (0.48) RENKCNH2CYP3A4
SCHEMBL4490048 0.83 REN (0.55) RENKCNH2

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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885KCNH2 403/4885CYP3A4 424/4885

“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.