SCHEMBL5366867

SCHEMBL5366867

Nc1ccc(N2CC3CCC(C2)N3)cn1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.67
CHRNA4 P43681 4/20 0.67
CHRNB4 P30926 8/20 0.57
CHRNA3 P32297 8/20 0.57

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
Hydrochloric Acid SCHEMBL5037172 0.98 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5366888 0.81 CHRNB2 (0.69) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29437368 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29882490 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2723337 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18291644 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20255522 0.80 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5376103 0.80 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2821416 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12425528 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US claimed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 WO 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

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 14/4885CHRNB4 37/4885

“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.