SCHEMBL613495

SCHEMBL613495

NC(CCc1cccc(C#CC2CCCC2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.41
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.39
HAO1 Q9UJM8 4/20 0.37
EPHX1 P07099 5/20 0.36
BACE1 P56817 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL612860 0.99 PTGES (0.41) PTGESFFAR1FFAR4HAO1EPHX1
SCHEMBL614202 0.81 FFAR1 (0.39) PTGESFFAR1FFAR4HAO1
SCHEMBL613506 0.81 CYP2D6 (0.38) PTGESFFAR1FFAR4HAO1
SCHEMBL613578 0.80 HRH3 (0.39) PTGESFFAR1HAO1EPHX1BACE1
SCHEMBL610814 0.80 PTGES (0.41) PTGESFFAR1FFAR4BACE1
SCHEMBL612775 0.79 NPC1 (0.35) PTGESFFAR1
SCHEMBL611605 0.78 FFAR1 (0.35) FFAR1FFAR4HAO1EPHX1
Trifluoroacetic Acid SCHEMBL613494 0.77 FFAR1 (0.47) PTGESFFAR1FFAR4HAO1EPHX1
Trifluoroacetic Acid SCHEMBL612859 0.76 FFAR1 (0.48) PTGESFFAR1FFAR4HAO1
SCHEMBL10279958 0.73 PTGES (0.45) PTGESFFAR1FFAR4HAO1EPHX1

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 10 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-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
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT PTGES 527/4885FFAR1 2522/4885FFAR4 2781/4885

“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.