SCHEMBL6543385

SCHEMBL6543385

O=[N+]([O-])c1cccc2cc(N3CCN4CCC3CC4)cnc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.48
PDE10A Q9Y233 1/20 0.44
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3A P46098 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KCNH2 Q12809 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL6544552 0.81 CHRNA7 (0.52) CHRNA7HTR3AKCNH2
SCHEMBL4704458 0.75 HTR3A (0.58) CHRNA7HTR3AKCNH2
SCHEMBL6543734 0.75 CHRNA7 (0.67) CHRNA7HTR3AKCNH2
SCHEMBL24267648 0.74 MAPT (0.54) CHRNA7MAPTSMN1; SMN2KCNH2
SCHEMBL5115004 0.71 CHRNA7 (0.62) CHRNA7HTR3AKCNH2
SCHEMBL21851607 0.70 KCNH2 (0.47) CHRNA7MAPTHTR3AALDH1A1KCNH2
SCHEMBL2537629 0.69 POLB (0.49) CHRNA7MAPTALDH1A1KCNH2
SCHEMBL17985441 0.68 CHRNA1 (0.72) CHRNA7HTR3AKCNH2
SCHEMBL5107855 0.68 CHRNA7 (0.57) CHRNA7HTR3A
SCHEMBL5115976 0.68 CHRNA7 (0.57) CHRNA7HTR3A

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-6835730-B2 Nicotinic receptor agonists SANOFI-SYNTHELABO (FR) 2004-12-28 US disclosed
EP-1254139-B1 4-HETEROARYL-1,4-DIAZABICYCLO 3.2.2]NONANE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2003-08-20 EP disclosed
US-20030119840-A1 4-Heteroparyl-1,4-diazabicyclo[3.2.2]nonane, preparation and therapeutic use thereof SANOFI (FR) 2003-06-26 US 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-20030119840-A1 4-Heteroparyl-1,4-diazabicyclo[3.2.2]nonane, preparation and therapeutic use thereof CYC1, CBR1, CNR1 CHRNA7 387/4885PDE10A 2449/4885MAPT 4790/4885

“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.