SCHEMBL3613503

SCHEMBL3613503

Cc1cc(F)c(-c2ccc(O[C@@H]3C4CCN(CC4)[C@H]3C)nc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
WDR5 P61964 3/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ABL1 P00519 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
MTOR P42345 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HCRTR1 O43613 2/20 0.32
FFAR2 O15552 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
SCHEMBL3613500 1.00 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3618778 0.87 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3618781 0.87 TDO2 (0.38) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3616337 0.84 FAAH (0.43) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3616333 0.84 FAAH (0.43) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3617444 0.82 CHRNB2 (0.42) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3617446 0.82 CHRNB2 (0.42) TDO2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3615193 0.82 CHRNA7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3615190 0.82 CHRNA7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3612548 0.80 CHRNA7 (0.41) 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 5 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
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 TDO2 3744/4885CHRNB2 11/4885CHRNB4 13/4885
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 TDO2 2660/4885CHRNB2 11/4885CHRNB4 15/4885
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 TDO2 2660/4885CHRNB2 11/4885CHRNB4 15/4885

“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.