SCHEMBL611591

SCHEMBL611591

CC(C)(C)OC(=O)NCCCc1cccc(CCCCC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CYP3A4 P08684 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
GLS O94925 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NQO2 P16083 1/20 0.45

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
SCHEMBL611259 0.88 CYP3A4 (0.53) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL4572151 0.87 CA1 (0.50) SIGMAR1CA1CA2MTNR1AMTNR1B
SCHEMBL611158 0.87 SIGMAR1 (0.47) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL610784 0.86 TDP1 (0.62) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL31747309 0.85 FAAH (0.51) SIGMAR1CYP3A4CA1CA2MAOA
SCHEMBL611246 0.85 MTNR1A (0.48) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL3131556 0.85 SIGMAR1 (0.48) SIGMAR1CYP3A4CA1CA2MAPT
SCHEMBL235620 0.84 SIGMAR1 (0.45) SIGMAR1CYP3A4CA1CA2MAOA
SCHEMBL18057684 0.84 MAPT (0.49) SIGMAR1CYP3A4CA1CA2MAOA
SCHEMBL7283887 0.83 NQO2 (0.56) SIGMAR1CYP3A4CA1CA2MAPT

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 12 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
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-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
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 SIGMAR1 1415/4885CYP3A4 3861/4885CA1 4855/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SIGMAR1 1415/4885CYP3A4 3861/4885CA1 4855/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SIGMAR1 1415/4885CYP3A4 3861/4885CA1 4855/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SIGMAR1 1415/4885CYP3A4 3861/4885CA1 4855/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT SIGMAR1 1415/4885CYP3A4 3861/4885CA1 4855/4885

“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.