SCHEMBL1201944

SCHEMBL1201944

CC1CCCN(CC2CCCCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
CHRM5 P08912 2/20 0.59
ADRA2C P18825 1/20 0.59
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12950313 0.98 ACHE (0.59) ACHECHRM5ADRA2CKDM4EL3MBTL1
SCHEMBL12717548 0.92 ACHE (0.50) ACHECHRM5ADRA2CKDM4EL3MBTL1
SCHEMBL21120881 0.92 ACHE (0.50) ACHECHRM5ADRA2CKDM4EL3MBTL1
SCHEMBL10685124 0.92 ACHE (0.50) ACHECHRM5ADRA2CKDM4EL3MBTL1
SCHEMBL14197722 0.90 ACHE (0.77) ACHECHRM5ADRA2CKDM4ESIGMAR1
SCHEMBL10130225 0.88 ACHE (0.73) ACHECHRM5ADRA2CKDM4ESIGMAR1
SCHEMBL10998970 0.88 ACHE (0.73) ACHECHRM5ADRA2CKDM4ESIGMAR1
SCHEMBL21064051 0.84 ACHE (0.88) ACHECHRM5ADRA2CKDM4ECHRM2
SCHEMBL20756545 0.83 ACHE (0.67) ACHECHRM5ADRA2CKDM4ESIGMAR1
SCHEMBL12827 0.83 ACHE (0.43) ACHECHRM5ADRA2CKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ACHE 20/4885CHRM5 3452/4885ADRA2C 1588/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ACHE 27/4885CHRM5 3277/4885ADRA2C 1996/4885
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 ACHE 2865/4885CHRM5 860/4885ADRA2C 236/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ACHE 20/4885CHRM5 3452/4885ADRA2C 1588/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ACHE 20/4885CHRM5 3452/4885ADRA2C 1588/4885

“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.