SCHEMBL3617640

SCHEMBL3617640

C[C@H]1[C@H](Oc2ccc(-c3cc4ccccc4s3)cn2)C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA4 P43681 4/20 0.39
FYN P06241 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
APP P05067 2/20 0.37
DCK P27707 1/20 0.36
TNK2 Q07912 1/20 0.36
GRIN2B Q13224 1/20 0.35
KDM1A O60341 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TBK1 Q9UHD2 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
SCHEMBL3617637 1.00 CHRNA7 (0.39) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Octane SCHEMBL4938045 0.93 CHRNA7 (0.37) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3616861 0.81 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623306 0.81 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3616860 0.81 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3623312 0.81 CHRNB2 (0.42) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3624662 0.80 CHRNB2 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3624658 0.80 CHRNB2 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3618584 0.80 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3618582 0.80 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CHRNA7 1/4885CHRNB2 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.