SCHEMBL6603960

SCHEMBL6603960

CCN(CC1(C2CCN(Cc3ccccc3)CC2)CCCCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ OPRM1 P35372 4/20 0.48
▸ CACNA1G O43497 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SIGMAR1 Q99720 3/20 0.47
▸ KCNH2 Q12809 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
SCHEMBL7627376 0.77 DRD4 (0.52) CACNA1GSIGMAR1
SCHEMBL6605017 0.77 DRD4 (0.54) CACNA1GSIGMAR1
SCHEMBL6605022 0.77 CACNA1G (0.51) OPRM1CACNA1GSIGMAR1
SCHEMBL7625330 0.76 ACHE (0.50) CACNA1GSIGMAR1
SCHEMBL2988825 0.73 MEN1 (0.55) CACNA1GSIGMAR1
SCHEMBL2981734 0.71 CYP3A4 (0.56) KDM4EOPRM1POLBSIGMAR1
SCHEMBL7621104 0.70 OPRM1 (0.48) KDM4EOPRM1SIGMAR1
SCHEMBL16795160 0.70 DRD4 (0.54) KDM4ECACNA1GPOLBSIGMAR1
SCHEMBL7623544 0.70 OPRM1 (0.49) KDM4EOPRM1SIGMAR1
SCHEMBL16795159 0.69 CHRM2 (0.62) KDM4EOPRM1SIGMAR1

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 KDM4E 2675/4885OPRM1 42/4885CACNA1G 291/4885

“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.

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