SCHEMBL5377425

SCHEMBL5377425

CC(C)(C)OC(=O)N1CCN=C1c1ccc(CCNCC(=O)C2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5377428 0.86 ALDH1A1 (0.38) SMN1; SMN2NPSR1MEN1KMT2AHSD17B10
SCHEMBL5389010 0.81 OPRM1 (0.35) TSHRMAPTLMNAALDH1A1
SCHEMBL5393649 0.80 BDKRB1 (0.44) MAPT
SCHEMBL5377549 0.78 BDKRB1 (0.39) MAPT
SCHEMBL5392287 0.78 BDKRB1 (0.44)
SCHEMBL5402637 0.77 BDKRB1 (0.38)
SCHEMBL5381885 0.75 BDKRB1 (0.36) TSHRMAPTLMNAALDH1A1
SCHEMBL5389019 0.73 BDKRB1 (0.36) TSHRMAPTHSD11B1NPC1LMNA
SCHEMBL5393651 0.72 BDKRB1 (0.47)
SCHEMBL5387868 0.71 HCRTR1 (0.37) LMNA

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 SMN1; SMN2 4814/4885NPSR1 88/4885MEN1 354/4885

“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.