SCHEMBL3608094

SCHEMBL3608094

Cc1ccc(-c2ccc(OC3C4CCN(CC4)C3C)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
CHRNB2 P17787 5/20 0.40
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
CHRNA4 P43681 4/20 0.40
HRH3 Q9Y5N1 8/20 0.37
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
TACR1 P25103 2/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB3 Q05901 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL3608098 1.00 CHRNA7 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3612548 0.90 CHRNA7 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3612550 0.90 CHRNA7 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3616860 0.90 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623312 0.90 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623306 0.90 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3616861 0.90 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623497 0.88 CHRNB2 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623495 0.88 CHRNB2 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3614472 0.87 CHRNB2 (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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 1/4885CHRNB2 11/4885CHRNB4 13/4885
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 1/4885CHRNB2 11/4885CHRNB4 15/4885
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 1/4885CHRNB2 11/4885CHRNB4 15/4885

“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.