SCHEMBL5043658

SCHEMBL5043658

O=C(O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.46
CHRNA7 P36544 2/20 0.43
KCNH2 Q12809 2/20 0.43
AKR1C3 P42330 1/20 0.43
SLC6A7 Q99884 1/20 0.42
CHRM1 P11229 1/20 0.41
MAP3K12 Q12852 1/20 0.39
MAPK8 P45983 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL6625801 0.85 KCNH2 (0.44) HDAC1CHRNA7KCNH2AKR1C3CHRM1
SCHEMBL26121662 0.81 TIPARP (0.46) HDAC1CHRNA7KCNH2CHRM1DPP4
SCHEMBL21853894 0.81 TIPARP (0.46) HDAC1CHRNA7KCNH2CHRM1DPP4
SCHEMBL5038489 0.80 LMNA (0.45) CHRNA7KCNH2AKR1C3BTK
SCHEMBL6626087 0.80 LMNA (0.45) CHRNA7KCNH2AKR1C3BTK
SCHEMBL5038422 0.80 LMNA (0.45) CHRNA7KCNH2AKR1C3BTK
SCHEMBL4823374 0.78 PBRM1 (0.53) HDAC1CHRNA7KCNH2SLC6A7CHRM1
SCHEMBL2226606 0.78 PBRM1 (0.53) HDAC1CHRNA7KCNH2SLC6A7CHRM1
SCHEMBL5041528 0.78 CHRNB2 (0.55) AKR1C3
SCHEMBL6624732 0.78 CHRNB2 (0.55) AKR1C3

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 HDAC1 957/4885CHRNA7 8/4885KCNH2 235/4885

“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.