SCHEMBL1201892

SCHEMBL1201892

CC(C)(C)OC(=O)CCC1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
NAAA Q02083 1/20 0.39
ROCK2 O75116 2/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25816991 1.00 KMT2A (0.49) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24541945 0.91 SLC6A1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1202098 0.84 EPHX1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1202016 0.84 EPHX1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1201014 0.84 EPHX1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26321342 0.84 EPHX2 (0.38) KMT2AMAPTATMMEN1EPHX1
SCHEMBL8349429 0.84 MEN1 (0.48) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL26667580 0.84 HPGD (0.46) KMT2AMAPTATMMEN1ALDH1A1
SCHEMBL1037020 0.83 KMT2A (0.52) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27700449 0.82 KMT2A (0.47) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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 9 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-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-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 (4 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 KMT2A 4094/4885CHRNB2 389/4885CHRNB4 539/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4117/4885CHRNB2 415/4885CHRNB4 575/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KMT2A 4094/4885CHRNB2 389/4885CHRNB4 539/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KMT2A 4094/4885CHRNB2 389/4885CHRNB4 539/4885

“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.