SCHEMBL5457823

SCHEMBL5457823

CN(CCC(=O)CNCCc1ccc(C2=NCCN2C(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.40
CCR5 P51681 5/20 0.35
LMNA P02545 1/20 0.34
NR1H3 Q13133 1/20 0.33
PDE4D Q08499 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BDKRB1 P46663 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5392988 0.93 NR1H2 (0.40) NR1H2CCR5LMNATAAR1ALDH1A1
SCHEMBL5393649 0.88 BDKRB1 (0.44) NR1H2BDKRB1
SCHEMBL5393877 0.86 SLC6A4 (0.37) NR1H2NR1H3
SCHEMBL5392287 0.84 BDKRB1 (0.44) NR1H2BDKRB1
SCHEMBL5381807 0.82 NPC1 (0.40) BDKRB1ALDH1A1
SCHEMBL5384267 0.79 MEN1 (0.44) NR1H2
SCHEMBL5457826 0.79 NR1H2 (0.38) NR1H2LMNANR1H3ALDH1A1
SCHEMBL5392992 0.78 NR1H2 (0.37) NR1H2NR1H3TAAR1ALDH1A1
SCHEMBL5402637 0.78 BDKRB1 (0.38) BDKRB1
SCHEMBL5377549 0.77 BDKRB1 (0.39) BDKRB1

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 NR1H2 1771/4885CCR5 1250/4885LMNA 1118/4885

“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.