SCHEMBL13461298

SCHEMBL13461298

BN1CC(CNC(=O)OCc2ccccc2)CC(N(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ ADRA1A P35348 3/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ ADRA1D P25100 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47

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
SCHEMBL13631034 0.88 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434395 0.88 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434615 0.88 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434579 0.88 REN (0.63) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434616 0.88 REN (0.63) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13461280 0.88 REN (0.63) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13461306 0.88 REN (0.51) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13461269 0.88 REN (0.53) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13461334 0.86 REN (0.49) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13461450 0.85 REN (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 — — 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP3A4 537/4885ADRA1A 15/4885

“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.

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