SCHEMBL7464246

SCHEMBL7464246

Brc1cncc(OC2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.54
ROCK2 O75116 4/20 0.54
CCR2 P41597 2/20 0.51
MCHR1 Q99705 2/20 0.47
GSK3B P49841 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHEK2 O96017 1/20 0.45
OPRK1 P41145 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SCN8A Q9UQD0 1/20 0.42

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
SCHEMBL7464417 1.00 ROCK1 (0.54) ROCK1ROCK2CCR2MCHR1GSK3B
SCHEMBL7461754 0.86 ROCK1 (0.54) ROCK1ROCK2CCR2MCHR1GSK3B
SCHEMBL7468234 0.86 ROCK1 (0.54) ROCK1ROCK2CCR2MCHR1GSK3B
SCHEMBL10607229 0.84 OPRK1 (0.56) ROCK1ROCK2CCR2MCHR1HRH3
Hydrochloric Acid SCHEMBL10609074 0.83 OPRK1 (0.55) ROCK1ROCK2CCR2MCHR1HRH3
SCHEMBL10608592 0.82 HRH3 (0.59) ROCK1ROCK2CCR2MCHR1HRH3
SCHEMBL7463143 0.81 ROCK1 (0.50) ROCK1ROCK2CCR2MCHR1HRH3
SCHEMBL7520899 0.81 CHRNB2 (0.47) GSK3BACHEMAOAMAOB
Hydrochloric Acid SCHEMBL10607341 0.81 SMN1; SMN2 (0.60) ROCK1ROCK2CCR2MCHR1HRH3
SCHEMBL10607825 0.80 HRH3 (0.62) ROCK1ROCK2CCR2MCHR1HRH3

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-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 ROCK1 3162/4885ROCK2 2792/4885CCR2 3306/4885

“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.