SCHEMBL7622012

SCHEMBL7622012

CCN(CC1(CN2CCN(Cc3ccccc3)CC2)CCC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.52
▸ SIGMAR1 Q99720 6/20 0.52
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL7621104 0.89 OPRM1 (0.48) OPRM1SIGMAR1KDM4EALDH1A1CYP2D6
SCHEMBL7625846 0.83 OPRM1 (0.46) OPRM1SIGMAR1KDM4EALDH1A1CYP2D6
SCHEMBL6603001 0.79 OPRM1 (0.47) OPRM1SIGMAR1ALDH1A1CYP2D6LMNA
SCHEMBL7618708 0.76 ALDH1A1 (0.50) OPRM1SIGMAR1ALDH1A1CYP2D6LMNA
SCHEMBL6603960 0.76 KDM4E (0.50) OPRM1SIGMAR1KDM4EKCNH2
SCHEMBL7618700 0.75 NPFFR1 (0.52) SIGMAR1ALDH1A1CYP2D6KCNH2
SCHEMBL7629192 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP2D6LMNAKMT2A
SCHEMBL7631442 0.73 NPFFR1 (0.52) SIGMAR1KDM4EALDH1A1CYP2D6KCNH2
SCHEMBL7623544 0.72 OPRM1 (0.49) OPRM1SIGMAR1KDM4ECYP2D6KMT2A
SCHEMBL7625460 0.71 SIGMAR1 (0.49) SIGMAR1KDM4EALDH1A1CYP2D6LMNA

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 42/4885SIGMAR1 127/4885KDM4E 2675/4885

“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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