SCHEMBL3616337

SCHEMBL3616337

C[C@H]1[C@H](Oc2ccc(-c3ccccc3F)cn2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
TDO2 P48775 2/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA4 P43681 3/20 0.37
HCRTR1 O43613 3/20 0.37
FFAR2 O15552 1/20 0.36
ACHE P22303 1/20 0.36
EPHB4 P54760 1/20 0.36
F2R P25116 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3616333 1.00 FAAH (0.43) FAAHTDO2AVPR2OXTRAVPR1A
SCHEMBL3612305 0.86 ALOX5AP (0.36) FAAHHCRTR1ACHEF2RALOX5AP
SCHEMBL3612300 0.86 ALOX5AP (0.36) FAAHHCRTR1ACHEF2RALOX5AP
SCHEMBL3618778 0.86 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3618781 0.86 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3616860 0.84 CHRNB2 (0.42) FAAHCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3623312 0.84 CHRNB2 (0.42) FAAHCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3616861 0.84 CHRNB2 (0.42) FAAHCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3623306 0.84 CHRNB2 (0.42) FAAHCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3613503 0.84 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7

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 FAAH 781/4885TDO2 3744/4885AVPR2 2673/4885
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 FAAH 1553/4885TDO2 2660/4885AVPR2 3938/4885
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 FAAH 1553/4885TDO2 2660/4885AVPR2 3938/4885

“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.