SCHEMBL3075139

SCHEMBL3075139

[O]N1CCCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
SLC18A3 Q16572 2/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
RIPK1 Q13546 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 1/20 0.44

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
SCHEMBL3072611 0.85 RIPK1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL443828 0.77 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL28855195 0.76 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16130558 0.76 CHRNB2 (0.89) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27869021 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6839621 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16130578 0.76 CHRNB2 (0.89) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4196916 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2251648 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL352232 0.76 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CHRNB2 3971/4885CHRNB4 4054/4885CHRNA3 4327/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CHRNB2 3971/4885CHRNB4 4054/4885CHRNA3 4327/4885

“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.