SCHEMBL372171

SCHEMBL372171

c1cc2cc(-c3cnc(OC4CN5CCC4CC5)nc3)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.67
CHRNB2 P17787 6/20 0.51
CHRNA4 P43681 6/20 0.51
HTR3A P46098 1/20 0.51
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
KCNH2 Q12809 3/20 0.46
NPC1 O15118 1/20 0.41
ABL1 P00519 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAP3K11 Q16584 1/20 0.40

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
SCHEMBL1542155 1.00 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1542249 1.00 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1542520 0.89 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1542518 0.89 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL412336 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1146038 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1908548 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL8266486 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1145977 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1145298 0.87 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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-20080234311-A1 IMMUNOASSAY FOR DETECTION AND QUANTIFICATION OF AMYLOID-beta PEPTIDES ABBVIE INC. 2008-09-25 US claimed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
US-20080234311-A1 IMMUNOASSAY FOR DETECTION AND QUANTIFICATION OF AMYLOID-beta PEPTIDES ABBVIE INC. 2008-09-25 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 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 (5 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-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 3/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885CHRNB2 17/4885CHRNA4 9/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 10/4885
US-20080234311-A1 IMMUNOASSAY FOR DETECTION AND QUANTIFICATION OF AMYLOID-beta PEPTIDES APP, IAPP, BACE1 CHRNA7 235/4885CHRNB2 30/4885CHRNA4 80/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 2/4885

“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.