SCHEMBL6800130

SCHEMBL6800130

c1ccc(CN2CCN([C@@H]3CN4CCC3CC4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.55
▸ ACHE P22303 2/20 0.49
▸ SLC18A3 Q16572 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DRD4 P21917 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ BACE1 P56817 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
SCHEMBL3351443 1.00 SIGMAR1 (0.55) SIGMAR1ACHESLC18A3CCR3MC4R
SCHEMBL7571239 0.78 OPRM1 (0.47) SIGMAR1DRD3
SCHEMBL7493605 0.78 CHRNA7 (0.43) DRD3
SCHEMBL6799717 0.78 OPRM1 (0.47) SIGMAR1DRD3
SCHEMBL16933419 0.76 SLC18A3 (0.55) SLC18A3DRD2DRD3
SCHEMBL8315434 0.76 ACHE (0.71) SIGMAR1ACHECCR3MC4RDRD4
SCHEMBL4797625 0.75 SIGMAR1 (0.69) SIGMAR1ACHECCR3MC4RRECQL
SCHEMBL24628147 0.75 SIGMAR1 (0.58) SIGMAR1ACHECCR3MC4RRECQL
SCHEMBL13483990 0.75 SIGMAR1 (0.58) SIGMAR1ACHECCR3MC4RRECQL
SCHEMBL18171323 0.75 KDM4E (0.53) SIGMAR1ACHECCR3MC4RRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734306-B2 USEFUL IN THE TREATMENT OF INFLAMMATION, ASTHMA, ALLERGIC RHINITIS, PAIN OR THE LIKE PFIZER, INC. 2004-05-11 — — US disclosed
EP-1213289-B1 N-benzenesulfonyl L-proline compounds as bradykinin antagonists PFIZER (US) 2003-11-05 — — EP disclosed
US-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. 2003-09-18 — — US disclosed
EP-1106615-B1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER (US) 2003-03-05 — — EP disclosed
US-20020128271-A1 N-benzenesulfonyl l-proline compounds as bradykinin antagonists PFIZER INC. 2002-09-12 — — US disclosed
EP-1213289-A1 N-benzenesulfonyl L-proline compounds as bradykinin antagonists PFIZER INC. (US) 2002-06-12 — — EP disclosed
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists OKUMURA YOSHIYUKI (JP) 2002-04-11 — — US disclosed
EP-1106615-A1 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 (3 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-20030176445-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 278/4885ACHE 2778/4885SLC18A3 3929/4885
US-20020042421-A1 Substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 SIGMAR1 297/4885ACHE 2423/4885SLC18A3 3902/4885
US-20020128271-A1 N-benzenesulfonyl l-proline compounds as bradykinin antagonists BDKRB1, HRH2, BDKRB2 SIGMAR1 395/4885ACHE 3252/4885SLC18A3 4005/4885

“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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