SCHEMBL6604145

SCHEMBL6604145

N#CC1(CCN2CCN(Cc3ccccc3)CC2)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
SIGMAR1 Q99720 4/20 0.51
KCNA3 P22001 1/20 0.50
MC4R P32245 1/20 0.49
OPRL1 P41146 1/20 0.48
CCR3 P51677 2/20 0.48
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TMEM97 Q5BJF2 2/20 0.45
CCR2 P41597 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
DRD4 P21917 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL6608253 0.84 OPRM1 (0.55) OPRM1SIGMAR1KCNA3MC4ROPRL1
SCHEMBL7632302 0.82 OPRM1 (0.56) OPRM1SIGMAR1KCNA3MC4ROPRL1
SCHEMBL14902471 0.79 OPRM1 (0.60) OPRM1SIGMAR1OPRL1CCR3CYP3A4
SCHEMBL16915778 0.78 OPRM1 (0.58) OPRM1SIGMAR1MC4ROPRL1CCR3
SCHEMBL7625247 0.78 SIGMAR1 (0.56) SIGMAR1MC4ROPRL1CCR3CYP3A4
SCHEMBL7620722 0.77 SIGMAR1 (0.51) SIGMAR1MC4RCCR3LMNAPOLB
SCHEMBL7623444 0.77 SIGMAR1 (0.55) SIGMAR1MC4ROPRL1CCR3CYP3A4
SCHEMBL14387152 0.76 OPRM1 (0.56) OPRM1SIGMAR1OPRL1CYP3A4HSD17B10
SCHEMBL4630573 0.76 OPRM1 (0.63) OPRM1SIGMAR1MC4ROPRL1CCR3
SCHEMBL5199646 0.75 OPRM1 (0.55) OPRM1SIGMAR1KCNA3MC4ROPRL1

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
EP-1106614-B1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2004-01-07 EP disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1106614-A1 5-Membered heteroaryl 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 (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-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 OPRM1 42/4885SIGMAR1 127/4885KCNA3 70/4885

“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.