SCHEMBL3614264

SCHEMBL3614264

CC1C(Oc2ccc(-c3ccccc3)nn2)C2CCN1CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.59
CHRNB4 P30926 7/20 0.59
CHRNA3 P32297 7/20 0.59
CHRNB2 P17787 6/20 0.59
CHRNA4 P43681 6/20 0.59
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3616851 1.00 CHRNA7 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3615186 1.00 CHRNA7 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3619739 0.89 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3615274 0.89 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3609505 0.88 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3609510 0.88 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3613751 0.87 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3619536 0.87 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5244627 0.86 CHRNA7 (0.46) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3614176 0.86 CHRNA7 (0.46) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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-9657010-B2 Substituted quinuclidines as alpha 7-nicotinic acetylcholine receptor activity modulators NOVARTIS AG (CH) 2017-05-23 US disclosed
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8609662-B2 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha. 7-nachr ligands for the treatment of CNS diseases NOVARTIS AG (CH) 2013-12-17 US disclosed
EP-2457911-A1 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha.7-nAChR ligands for the treatment of CNS diseases. Novartis AG (CH) 2012-05-30 EP disclosed
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG 2010-04-15 US disclosed
US-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1776360-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES. Novartis AG (CH) 2007-04-25 EP disclosed
WO-2006005608-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG (CH) 2006-01-19 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 (3 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-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885CHRNB4 13/4885CHRNA3 9/4885
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885CHRNB4 15/4885CHRNA3 6/4885
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885CHRNB4 15/4885CHRNA3 6/4885

“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.