SCHEMBL5381807

SCHEMBL5381807

CC(C)(C)OC(=O)N1CCN=C1c1ccc(CCNCC(=O)CCC2CCCCN2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FKBP1A P62942 7/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BDKRB1 P46663 2/20 0.39

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
SCHEMBL5389010 0.89 OPRM1 (0.35) ALDH1A1BDKRB1
SCHEMBL5387868 0.87 HCRTR1 (0.37) FKBP1ABDKRB1
SCHEMBL5381812 0.86 FKBP1A (0.39) NPC1RAB9AFKBP1AALDH1A1MAPK1
SCHEMBL5457823 0.82 NR1H2 (0.40) ALDH1A1BDKRB1
SCHEMBL5392988 0.79 NR1H2 (0.40) RAB9AALDH1A1
SCHEMBL5193778 0.75 NPC1 (0.37) NPC1RAB9AFKBP1AALDH1A1MAPK1
SCHEMBL5389019 0.75 BDKRB1 (0.36) NPC1RAB9AALDH1A1BDKRB1
SCHEMBL5384267 0.74 MEN1 (0.44) RAB9A
SCHEMBL5387874 0.73 HCRTR1 (0.36) FKBP1ABDKRB1
SCHEMBL5393649 0.73 BDKRB1 (0.44) 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 NPC1 2214/4885RAB9A 2494/4885FKBP1A 3650/4885

“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.