SCHEMBL6967058

SCHEMBL6967058

CC(=O)N1C2CCC1CC(N1CCNCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.35
HSD11B1 P28845 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31

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
Hydrochloric Acid SCHEMBL6977971 0.98 SMN1; SMN2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL8187750 0.98 SMN1; SMN2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Acetic Acid SCHEMBL27682283 0.79 KMT2A (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8191889 0.79 SMN1; SMN2 (0.32) SMN1; SMN2CHRM3CHRM2CHRM1
SCHEMBL6968591 0.77 HRH3 (0.37) KMT2AHRH3
SCHEMBL16446458 0.75 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1936077 0.75 LMNA (0.43) SMN1; SMN2HPGDKMT2AHTR6CHRM3
SCHEMBL6970103 0.75 LMNA (0.43) SMN1; SMN2HPGDKMT2AHTR6CHRM3
SCHEMBL6976334 0.75 LMNA (0.43) SMN1; SMN2HPGDKMT2AHTR6CHRM3
SCHEMBL20808277 0.74 L3MBTL3 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 4 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

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.