SCHEMBL7621116

SCHEMBL7621116

CC(C)(C)C(NC(=O)O)C1(CN2CCNCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.37
▸ PADI1 Q9ULC6 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL6602948 0.96 CHRM5 (0.41) CHRM5CHRM3SIGMAR1PADI1PADI4
SCHEMBL1964997 0.71 MME (0.33) —
SCHEMBL3632658 0.71 CHRM5 (0.45) CHRM5CHRM3SIGMAR1PADI1PADI4
SCHEMBL3827369 0.67 PIM1 (0.32) —
SCHEMBL7621229 0.65 SIGMAR1 (0.39) CHRM5CHRM3SIGMAR1PADI1PADI4
SCHEMBL3831959 0.65 — —
SCHEMBL7621119 0.65 SIGMAR1 (0.34) CHRM5CHRM3SIGMAR1
SCHEMBL1771284 0.63 CYP3A4 (0.32) —
SCHEMBL15641634 0.63 CHRM5 (0.50) CHRM5CHRM3SIGMAR1PADI1PADI4
SCHEMBL4972191 0.63 CCR1 (0.39) CHRM5CHRM3SIGMAR1CYP1A2

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 CHRM5 337/4885CHRM3 417/4885SIGMAR1 127/4885

“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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