SCHEMBL7470466

SCHEMBL7470466

c1ccc(-c2cncc(O[C@@H]3CCNC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59
CHUK O15111 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56
MAP4K4 O95819 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
RPS6KB1 P23443 1/20 0.56
AKT1 P31749 1/20 0.56
CLK2 P49760 1/20 0.56
PRKX P51817 1/20 0.56
PRKG2 Q13237 1/20 0.56
ROCK1 Q13464 1/20 0.56
DYRK1A Q13627 1/20 0.56
PRKG1 Q13976 1/20 0.56
PKN2 Q16513 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
PRKCZ Q05513 2/20 0.53

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
SCHEMBL7462914 1.00 CHRNB2 (0.59) CHRNB2CHRNA4CHUKDYRK3ROCK2
Hydrochloric Acid SCHEMBL7458169 0.99 CHRNB2 (0.58) CHRNB2CHRNA4CHUKDYRK3ROCK2
Hydrochloric Acid SCHEMBL7470627 0.99 CHRNB2 (0.58) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL7464344 0.87 CHRNB2 (0.54) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL7459882 0.86 CHRNB2 (0.61) CHRNB2CHRNA4CHUKDYRK3ROCK2
Hydrochloric Acid SCHEMBL7459985 0.86 CHRNB2 (0.53) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL7458993 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHUKDYRK3ROCK2
SCHEMBL7464097 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHUKDYRK3ROCK2
Hydrochloric Acid SCHEMBL7465401 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHUKDYRK3ROCK2
Hydrochloric Acid SCHEMBL7468295 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHUKDYRK3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US claimed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP claimed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO claimed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO 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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE CHRNB2 16/4885CHRNA4 12/4885CHUK 4229/4885

“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.