SCHEMBL5038439

SCHEMBL5038439

COc1cc(N2C[C@H]3C[C@@]2(OS(=O)(=O)c2ccc(C)cc2)CN3)cnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
MAOA P21397 2/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 3/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GLRA3 O75311 2/20 0.30
GLRB P48167 2/20 0.30
MITF O75030 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
PIK3CG P48736 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5034210 0.90 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5038447 0.90 CHRNB2 (0.38) CHRNB2CHRNA4LMNATP53RAB9A
SCHEMBL928756 0.84 CHRNB4 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5038413 0.83 CHRNB2 (0.39) CHRNB2CHRNA4LMNAMEN1KMT2A
SCHEMBL5037373 0.82 CHRNB2 (0.36) CHRNB2CHRNA4LMNARAB9AMEN1
SCHEMBL5036656 0.81 CHRNB2 (0.35) CHRNB2CHRNA4
SCHEMBL5034038 0.80 CYP2D6 (0.33)
SCHEMBL5043632 0.80 CHRNB2 (0.35) CHRNB2CHRNA4RAB9ACHRNB4CHRNA3
SCHEMBL5043607 0.78 CHRNB2 (0.34) CHRNB2CHRNA4PKMLMNAMEN1
SCHEMBL5041551 0.78 CHRNB2 (0.34) CHRNB2CHRNA4PKMLMNAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB2 29/4885CHRNA4 14/4885MAOA 837/4885

“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.