SCHEMBL5038422

SCHEMBL5038422

O=C(O)N1C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CHRNA7 P36544 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
AKR1C3 P42330 1/20 0.38
BTK Q06187 2/20 0.37
CYP2C8 P10632 1/20 0.37
KCNH2 Q12809 1/20 0.37
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL6626087 1.00 LMNA (0.45) LMNAHTTCHRNA7KMT2AMEN1
SCHEMBL5038489 1.00 LMNA (0.45) LMNAHTTCHRNA7KMT2AMEN1
SCHEMBL7003622 0.81 PARP1 (0.54) LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL30803681 0.81 CHRNA7 (0.40) CHRNA7AKR1C3BTKCYP2C8KCNH2
SCHEMBL450695 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL450696 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL450697 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL6625316 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL5043658 0.80 HDAC1 (0.46) CHRNA7AKR1C3BTKKCNH2
SCHEMBL5041528 0.79 CHRNB2 (0.55) CHRNB2CHRNA4AKR1C3

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 LMNA 4155/4885HTT 1736/4885CHRNA7 8/4885

“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.