SCHEMBL7629033

SCHEMBL7629033

N#CC1(C2CCN(Cc3ccccc3)CC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
ACHE P22303 2/20 0.49
CCR3 P51677 1/20 0.48
CHRM4 P08173 1/20 0.47
SIGMAR1 Q99720 5/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CXCR3 P49682 1/20 0.44
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44
TMEM97 Q5BJF2 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
SCHEMBL13548371 0.87 OPRM1 (0.60) OPRM1ACHESIGMAR1
SCHEMBL18425484 0.86 OPRM1 (0.50) OPRM1ACHECCR3CHRM4SIGMAR1
SCHEMBL19615075 0.78 ACHE (0.47) OPRM1ACHECCR3CHRM4SIGMAR1
SCHEMBL19631869 0.78 OPRM1 (0.44) OPRM1ACHECCR3CHRM4SIGMAR1
SCHEMBL19631651 0.78 ACHE (0.47) OPRM1ACHECCR3CHRM4SIGMAR1
SCHEMBL7625330 0.76 ACHE (0.50) ACHECCR3SIGMAR1DRD2DRD4
SCHEMBL5199646 0.74 OPRM1 (0.55) OPRM1SIGMAR1HRH3DRD4TMEM97
SCHEMBL6608253 0.74 OPRM1 (0.55) OPRM1SIGMAR1DRD4TMEM97
SCHEMBL14836350 0.74 OPRM1 (0.55) OPRM1SIGMAR1HRH3DRD4TMEM97
SCHEMBL2988825 0.73 MEN1 (0.55) ACHECCR3SIGMAR1DPP7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 42/4885ACHE 2188/4885CCR3 109/4885

“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.