SCHEMBL3487499

SCHEMBL3487499

COCCCOc1cc(C(=O)N(C(C)C)C2CCCCN(C(=O)OCc3ccccc3)C2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.51
CYP3A4 P08684 4/20 0.51
ADRA1A P35348 3/20 0.49
KCNH2 Q12809 3/20 0.49
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
HTR2A P28223 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR2B P41595 2/20 0.49
PDE4B Q07343 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
OPRM1 P35372 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL13434238 0.98 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13630938 0.98 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434234 0.98 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3488263 0.95 REN (0.53) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3488941 0.86 REN (0.48) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434242 0.86 REN (0.52) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL3487423 0.85 REN (0.53) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL3488892 0.85 REN (0.53) RENADRA1AKCNH2HTR1AADRA1D
SCHEMBL13434465 0.85 REN (0.44) RENCYP3A4ADRA1AKCNH2HTR1A
SCHEMBL13434532 0.85 REN (0.53) 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 2 patents. 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
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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.