SCHEMBL3622692

SCHEMBL3622692

CC1C(Oc2ccc(-c3ccc4sccc4c3)cn2)C2CCN1CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.44
KCNH2 Q12809 4/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNA4 P43681 3/20 0.43
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
DYRK1A Q13627 2/20 0.36
KDM1A O60341 1/20 0.36
CA12 O43570 4/20 0.35
ENPP1 P22413 1/20 0.35
CA2 P00918 4/20 0.35
WNT1 P04628 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
FGFR1 P11362 1/20 0.33

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
SCHEMBL3622695 1.00 CHRNA7 (0.44) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3620238 0.92 CHRNA7 (0.41) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3620235 0.92 CHRNA7 (0.41) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3623477 0.80 CHRNB2 (0.36) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3618118 0.80 ADRA2A (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623480 0.80 CHRNB2 (0.36) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3618119 0.80 ADRA2A (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3617446 0.79 CHRNB2 (0.42) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3617444 0.79 CHRNB2 (0.42) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL3617637 0.79 CHRNA7 (0.39) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3

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 1/4885KCNH2 1918/4885CHRNB2 11/4885
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 1/4885KCNH2 444/4885CHRNB2 11/4885
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 1/4885KCNH2 444/4885CHRNB2 11/4885

“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.