SCHEMBL5657818

SCHEMBL5657818

CC(=O)On1ccnc1CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
FDPS P14324 1/20 0.32
ALPG P10696 1/20 0.30
PLAA Q9Y263 1/20 0.30

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
SCHEMBL27478632 0.78 AGTR1 (0.38)
Bromide SCHEMBL28340164 0.78 AGTR1 (0.38) ALDH1A1
SCHEMBL6259211 0.78 ALDH1A1 (0.40) ALDH1A1HTT
SCHEMBL28045390 0.76 FDPS (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
Bromide SCHEMBL28907518 0.74 FDPS (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28183764 0.74 FDPS (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10714839 0.74
Water SCHEMBL28641387 0.73 FDPS (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL29178433 0.71 KMT2A (0.30)
SCHEMBL5655723 0.71 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 PDE4A 3802/4885PDE4B 3217/4885PDE4C 4285/4885

“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.