SCHEMBL5111574

SCHEMBL5111574

c1cncc(N2CCN3CCCC2C3)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.49
CHRNA4 P43681 14/20 0.49
CHRNB4 P30926 8/20 0.47
CHRNA3 P32297 8/20 0.47
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CHRNA7 P36544 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5114631 0.91 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5122462 0.91 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
Hydrochloric Acid SCHEMBL5115272 0.90 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5111041 0.88 CHRNA7 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5109547 0.86 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5112649 0.81 MAPT (0.40) MAPTCHRNA7ALDH1A1LMNATDP1
SCHEMBL5112137 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6969083 0.81 CHRNA7 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5113103 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5110318 0.77 CHRNB4 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CHRNB2 10/4885CHRNA4 5/4885CHRNB4 11/4885

“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.