SCHEMBL3390939

SCHEMBL3390939

C[C@H]1[C@H](Oc2ccc(-c3ccc4[nH]ccc4c3)cn2)C2CCN1CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.65
CHRNB2 P17787 8/20 0.65
CHRNA4 P43681 8/20 0.65
CHRNB4 P30926 7/20 0.65
CHRNA3 P32297 7/20 0.65
KCNH2 Q12809 3/20 0.43
MAP3K11 Q16584 2/20 0.43
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
HTR3A P46098 1/20 0.39

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
SCHEMBL18857740 1.00 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3390549 1.00 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3614227 0.93 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3614230 0.93 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3388669 0.88 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3388664 0.88 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3393862 0.88 CHRNA7 (0.51) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3391748 0.85 CHRNA7 (0.66) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3389709 0.85 CHRNA7 (0.66) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1954551 0.85 CHRNA7 (0.66) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 11 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 claimed
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 claimed
EP-1776360-B1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES. NOVARTIS AG (CH) 2010-12-29 EP claimed
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 claimed
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
EP-1776360-B1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA.7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES. NOVARTIS AG (CH) 2010-12-29 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

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 11/4885CHRNA4 8/4885
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 11/4885CHRNA4 9/4885
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 11/4885CHRNA4 9/4885

“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.