SCHEMBL5110941

SCHEMBL5110941

Clc1ccc(-c2cncc(N3CCN4CC3C4)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB3 Q05901 1/20 0.43
AHR P35869 1/20 0.36
CHRNA4 P43681 1/20 0.35
CRHR1 P34998 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
MARS1 P56192 1/20 0.34
USP30 Q70CQ3 1/20 0.33
CLK1 P49759 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5108368 0.92 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL5116454 0.91 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5121599 0.90 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5120541 0.87 CHRNB1 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5114646 0.85 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5109218 0.84 CHRNB4 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL5123133 0.81 CHRNB4 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A
SCHEMBL5111997 0.78 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5116116 0.77 CYP11B1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4MAPT
SCHEMBL5115668 0.76 CHRNB4 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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 10/4885CHRNB4 11/4885CHRNA3 14/4885

“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.