SCHEMBL6975017

SCHEMBL6975017

CC(=O)N1CC2CC(N3CCNCC3)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.52
CHRNA3 P32297 10/20 0.52
CHRNA4 P43681 10/20 0.52
CHRNB4 P30926 8/20 0.52
CHRNA7 P36544 6/20 0.44
CHRNB3 Q05901 2/20 0.44
CHRNA6 Q15825 2/20 0.44
HSD11B1 P28845 1/20 0.34
CA2 P00918 2/20 0.33
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CHKA P35790 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL6840183 0.85 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL8185921 0.79 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL22565594 0.79 NR1H2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4JAK1
SCHEMBL22565600 0.79 NR1H2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB4JAK1
SCHEMBL8145007 0.77 L3MBTL3 (0.41) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL20808277 0.77 L3MBTL3 (0.45) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL6969158 0.76 HTR6 (0.35)
SCHEMBL26496895 0.75 L3MBTL3 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL26496894 0.75 L3MBTL3 (0.41) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL12864612 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 US disclosed
EP-1106615-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 EP disclosed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 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 (2 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 CHRNB2 1149/4885CHRNA3 942/4885CHRNA4 634/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 CHRNB2 1091/4885CHRNA3 1100/4885CHRNA4 616/4885

“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.