SCHEMBL3621667

SCHEMBL3621667

C[C@H]1[C@H](Oc2ccc(-c3cccc4c3oc3ccccc34)cn2)C2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 5/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
AVPR1A P37288 1/20 0.34
ADK P55263 1/20 0.33
SYK P43405 1/20 0.32
TDO2 P48775 2/20 0.32
GGPS1 O95749 1/20 0.32
ATM Q13315 1/20 0.32
DRD4 P21917 1/20 0.32
USP2 O75604 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
SCHEMBL3621662 1.00 ALOX5 (0.40) ALOX5PRMT5WDR77L3MBTL1PRKDC
SCHEMBL3616800 0.82 TDO2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616802 0.82 TDO2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3617845 0.80 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3616337 0.79 FAAH (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3612630 0.79 ALOX5 (0.40) ALOX5L3MBTL1PRKDCPIK3CDPIK3CB
SCHEMBL2672272 0.79 ALOX5 (0.40) ALOX5PRMT5WDR77PRKDCPIK3CD
SCHEMBL3618118 0.78 ADRA2A (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3623312 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3609208 0.77 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 7 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
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 (2 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-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 ALOX5 2033/4885PRMT5 825/4885WDR77 1860/4885
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 ALOX5 2033/4885PRMT5 825/4885WDR77 1860/4885

“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.