SCHEMBL613093

SCHEMBL613093

CC(C)(C)OC(=O)NCCCc1cccc(CC(=O)C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.44
SIGMAR1 Q99720 2/20 0.44
EPHX1 P07099 2/20 0.43
CYP3A4 P08684 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 1/20 0.40
NQO2 P16083 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
SCHEMBL3127818 0.83 SMN1; SMN2 (0.57) CYP3A4CA1CA2
SCHEMBL611537 0.82 SIGMAR1 (0.48) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL611075 0.81 EPHX2 (0.46) GLSSIGMAR1EPHX1CYP3A4EPHX2
SCHEMBL10237702 0.80 SIGMAR1 (0.41) SIGMAR1EPHX1CYP3A4CA1CA2
SCHEMBL2167695 0.79 CYP3A4 (0.43) SIGMAR1EPHX1CYP3A4CA1CA2
SCHEMBL10237700 0.79 SIGMAR1 (0.43) GLSSIGMAR1EPHX1CYP3A4EPHX2
SCHEMBL237780 0.78 PTGES (0.45) SIGMAR1EPHX1EPHX2MAPTATM
SCHEMBL10235830 0.78 SMN1; SMN2 (0.43) EPHX1EPHX2
SCHEMBL2151236 0.78 CA1 (0.45) SIGMAR1EPHX1CYP3A4CA1CA2
SCHEMBL232874 0.77 PTGES (0.46) SIGMAR1EPHX1CYP3A4MAPTATM

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-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
CN-101917980-B Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2013-12-11 CN disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
CN-101917980-A Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-12-15 CN disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT GLS 2318/4885SIGMAR1 1415/4885EPHX1 2145/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT GLS 2318/4885SIGMAR1 1415/4885EPHX1 2145/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT GLS 2318/4885SIGMAR1 1415/4885EPHX1 2145/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT GLS 2318/4885SIGMAR1 1415/4885EPHX1 2145/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT GLS 2318/4885SIGMAR1 1415/4885EPHX1 2145/4885

“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.