SCHEMBL7515517

SCHEMBL7515517

CN1CCC(COc2cnc(Br)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA3 P32297 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CXCR1 P25024 1/20 0.38
CHRNB4 P30926 3/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA7 P36544 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL7518431 0.84 ALDH1A1 (0.44) CHRNA3CHRNB4CHRNA7
SCHEMBL19959133 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL7465245 0.74 ALDH1A1 (0.43) CHRNA7
SCHEMBL19575599 0.73 SIGMAR1 (0.49) HRH3
SCHEMBL24568237 0.71 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CXCR1CHRNB4
SCHEMBL27290157 0.71 F2 (0.41) CHRM3MAOAMAOB
SCHEMBL27074724 0.70 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL29739466 0.70 CHRM3 (0.40) CHRM3EHMT2
SCHEMBL23213802 0.70 CHRM3 (0.40) CHRM3EHMT2
SCHEMBL7465250 0.70 F2 (0.40) CHRM3UTS2R

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 1 patent. 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

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 HSP90AA1 4384/4885HSP90AB1 4449/4885CHRNB2 16/4885

“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.