SCHEMBL3620235

SCHEMBL3620235

CC1C(Oc2ccc(-c3ccc4ccsc4c3)cn2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.41
CHRNB4 P30926 6/20 0.41
CHRNA3 P32297 6/20 0.41
CHRNB2 P17787 5/20 0.41
CHRNA4 P43681 5/20 0.41
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 3/20 0.36
SIGMAR1 Q99720 1/20 0.34
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
PI4KA P42356 3/20 0.33
PIK3CG P48736 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
PIP5K1C O60331 1/20 0.33
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 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
SCHEMBL3620238 1.00 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3622692 0.92 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3622695 0.92 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3614227 0.80 CHRNA7 (0.56) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3614230 0.80 CHRNA7 (0.56) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3623477 0.80 CHRNB2 (0.36) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3623480 0.80 CHRNB2 (0.36) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3618118 0.80 ADRA2A (0.35) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3618119 0.80 ADRA2A (0.35) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3617444 0.79 CHRNB2 (0.42) 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.