SCHEMBL6544552

SCHEMBL6544552

Nc1cccc2cc(N3CCN4CCC3CC4)cnc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.52
KDM4E B2RXH2 2/20 0.39
HTR3A P46098 6/20 0.38
KCNH2 Q12809 5/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 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
SCHEMBL6543385 0.81 CHRNA7 (0.48) CHRNA7HTR3AKCNH2
SCHEMBL6543734 0.79 CHRNA7 (0.67) CHRNA7HTR3AKCNH2CHRNB2CHRNA4
SCHEMBL5115004 0.74 CHRNA7 (0.62) CHRNA7HTR3AKCNH2CHRNB2CHRNA4
SCHEMBL22164842 0.72 CHRNA7 (0.48) CHRNA7HTR3AKCNH2CHRNA1CHRNB2
SCHEMBL5107855 0.71 CHRNA7 (0.57) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5115976 0.71 CHRNA7 (0.57) CHRNA7HTR3ACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5122590 0.70 CHRNA7 (0.60) CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL6544013 0.70 CHRNA7 (0.56) CHRNA7HTR3AKCNH2
SCHEMBL26964265 0.67 KDM4E (0.67) KDM4E
SCHEMBL22171115 0.66 CHRNA7 (0.51) CHRNA7HTR3AKCNH2CHRNA1CHRNB2

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 387/4885KDM4E 3656/4885HTR3A 764/4885

“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.