SCHEMBL5114322

SCHEMBL5114322

Clc1cncc(N2CCN3CCCC2CCC3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA7 P36544 4/20 0.42
CHRNA1 P02708 1/20 0.42
KCNH2 Q12809 2/20 0.41
HTR3A P46098 1/20 0.41
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 1/20 0.34

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
SCHEMBL5111871 0.97 KCNH2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5112706 0.91 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5108406 0.84 CHRNB4 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7KCNH2
SCHEMBL5111997 0.83 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5114518 0.82 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5109704 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5108171 0.82 CHRNB4 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7KCNH2
Hydrochloric Acid SCHEMBL5110444 0.81 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5111957 0.81 ALPL (0.38) PDE4AKMT2A
SCHEMBL5120541 0.80 CHRNB1 (0.47) CHRNB2CHRNB4CHRNA3KCNH2MEN1

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.