SCHEMBL612934

SCHEMBL612934

NCCC(OC(=O)C(F)(F)F)c1cccc(C#CCc2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNK2 O95069 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
HAO1 Q9UJM8 2/20 0.37
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP2D6 P10635 2/20 0.35
NOS2 P35228 2/20 0.35
EPHX1 P07099 1/20 0.34
PTGES O14684 3/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP13 P45452 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL612933 0.81 FFAR1 (0.40) HAO1FFAR1FFAR4EPHX1PTGES
SCHEMBL614202 0.78 FFAR1 (0.39) HAO1FFAR1FFAR4PTGESMMP13
SCHEMBL232765 0.75 KMT2A (0.40) HAO1FFAR1FFAR4PTGESKMT2A
Trifluoroacetic Acid SCHEMBL614201 0.71 FFAR1 (0.46) HAO1FFAR1FFAR4PTGES
SCHEMBL3865711 0.68 CFD (0.45) SLC6A2SLC6A4SLC6A3HAO1FFAR1
SCHEMBL610814 0.67 PTGES (0.41) FFAR1FFAR4PTGESMMP13
SCHEMBL613578 0.67 HRH3 (0.39) HAO1FFAR1CYP2D6EPHX1PTGES
SCHEMBL236428 0.65 FFAR1 (0.43) FFAR1FFAR4KMT2A
SCHEMBL236434 0.65 FFAR1 (0.43) FFAR1FFAR4KMT2A
SCHEMBL611605 0.65 FFAR1 (0.35) HAO1FFAR1FFAR4CYP2D6EPHX1

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-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
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 SLC6A2 252/4885SLC6A4 471/4885SLC6A3 277/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SLC6A2 252/4885SLC6A4 471/4885SLC6A3 277/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SLC6A2 252/4885SLC6A4 471/4885SLC6A3 277/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SLC6A2 252/4885SLC6A4 471/4885SLC6A3 277/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT SLC6A2 252/4885SLC6A4 471/4885SLC6A3 277/4885

“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.