SCHEMBL5041378

SCHEMBL5041378

Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)O)nnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DCTPP1 Q9H773 1/20 0.35
SLC6A7 Q99884 1/20 0.34
CHRNA7 P36544 1/20 0.34
AKR1C3 P42330 1/20 0.34
MAP3K12 Q12852 1/20 0.34
BTK Q06187 3/20 0.32
CYP2C8 P10632 1/20 0.31
KCNH2 Q12809 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL5038335 0.82 BTK (0.33) DCTPP1SLC6A7CHRNA7AKR1C3MAP3K12
SCHEMBL5385606 0.80 CHRNA7 (0.49) CHRNA7KCNH2
SCHEMBL5041511 0.80 CHRNA7 (0.49) CHRNA7KCNH2
SCHEMBL5037371 0.80 CHRNB2 (0.58) CHRNB2CHRNA4SLC6A7AKR1C3MAP3K12
SCHEMBL5038422 0.77 LMNA (0.45) CHRNB2CHRNA4DCTPP1CHRNA7AKR1C3
SCHEMBL5038489 0.77 LMNA (0.45) CHRNB2CHRNA4DCTPP1CHRNA7AKR1C3
SCHEMBL6626087 0.77 LMNA (0.45) CHRNB2CHRNA4DCTPP1CHRNA7AKR1C3
SCHEMBL11963146 0.77 MAP3K12 (0.38) SLC6A7AKR1C3MAP3K12BTKCYP2C8
SCHEMBL11963315 0.76 SLC6A7 (0.38) SLC6A7AKR1C3MAP3K12BTKCYP2C8
SCHEMBL27144581 0.72 MAP3K12 (0.36) MAP3K12BTKCYP2C8KCNH2PARP1

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 TRPV1 832/4885CHRNB2 29/4885CHRNA4 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.