SCHEMBL6979626

SCHEMBL6979626

CC(=O)N1CC2CC(N3CCN(Cc4ccccc4)CC3)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
RECQL P46063 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ACHE P22303 1/20 0.47
HSD11B1 P28845 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7128583 0.90 DPP4 (0.49) SMN1; SMN2RECQLDPP4ALDH1A1KDM4E
SCHEMBL8186246 0.86 ALDH1A1 (0.61) SMN1; SMN2HRH3ALDH1A1KDM4ELMNA
SCHEMBL6973800 0.83 JAK2 (0.53) SMN1; SMN2RECQLALDH1A1KDM4EACHE
SCHEMBL6974039 0.82 MC4R (0.58) SMN1; SMN2RECQLKDM4EACHELMNA
SCHEMBL3959065 0.80 ACHE (0.66) CYP2D6SMN1; SMN2RECQLHRH3ALDH1A1
SCHEMBL1943497 0.79 HRH3 (0.75) CYP2D6SMN1; SMN2HRH3ALDH1A1KDM4E
SCHEMBL642022 0.78 SIGMAR1 (0.55) SMN1; SMN2RECQLDPP4ALDH1A1KDM4E
SCHEMBL13812393 0.78 ACHE (0.57) CYP2D6SMN1; SMN2RECQLHRH3ALDH1A1
SCHEMBL1895069 0.75 CYP2D6 (0.54) CYP2D6SMN1; SMN2HRH3ALDH1A1HSD11B1
SCHEMBL8193615 0.75 SIGMAR1 (0.55) SMN1; SMN2RECQLACHELMNA

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 CYP2D6 786/4885SMN1; SMN2 4652/4885RECQL 3084/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 CYP2D6 818/4885SMN1; SMN2 4681/4885RECQL 3772/4885

“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.