SCHEMBL6602948

SCHEMBL6602948

CC(C)(C)C(NC(=O)O)C1(CN2CCNCC2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ PADI1 Q9ULC6 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ SLC6A2 P23975 7/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ F2R P25116 1/20 0.30

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
SCHEMBL7621116 0.96 CHRM5 (0.42) CHRM5CHRM3PADI1PADI4SIGMAR1
SCHEMBL1964997 0.74 MME (0.33) —
SCHEMBL7621229 0.70 SIGMAR1 (0.39) CHRM5CHRM3PADI1PADI4SIGMAR1
SCHEMBL3632658 0.70 CHRM5 (0.45) CHRM5CHRM3PADI1PADI4SIGMAR1
SCHEMBL7935591 0.67 — —
SCHEMBL3827369 0.66 PIM1 (0.32) —
SCHEMBL6602954 0.66 SIGMAR1 (0.33) CHRM5CHRM3PADI1PADI4SIGMAR1
SCHEMBL3831959 0.64 — —
SCHEMBL9690498 0.63 RAD52 (0.38) CHRM5CHRM3SLC6A2SLC6A4
SCHEMBL1771284 0.62 CYP3A4 (0.32) —

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 CHRM5 337/4885CHRM3 417/4885PADI1 3697/4885

“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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