SCHEMBL7463143

SCHEMBL7463143

Clc1ncc(O[C@H]2CCN(Cc3ccccc3)C2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.50
ROCK2 O75116 4/20 0.50
CCR2 P41597 2/20 0.49
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHEK2 O96017 1/20 0.44
OPRK1 P41145 1/20 0.43
SCN8A Q9UQD0 3/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL7516953 0.83 DRD4 (0.48)
SCHEMBL7464246 0.81 ROCK1 (0.54) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL7464417 0.81 ROCK1 (0.54) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL10609088 0.79 HRH3 (0.53) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL10607825 0.79 HRH3 (0.62) ROCK1ROCK2CCR2MCHR1HRH3
Hydrochloric Acid SCHEMBL10607374 0.78 SMN1; SMN2 (0.54) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL10608592 0.78 HRH3 (0.59) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL7460334 0.78 UTS2R (0.45)
SCHEMBL10607229 0.77 OPRK1 (0.56) ROCK1ROCK2CCR2KCNH2MCHR1
SCHEMBL4785850 0.77 ROCK1 (0.54) ROCK1ROCK2CCR2KCNH2MCHR1

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.