SCHEMBL613578

SCHEMBL613578

CCCC#Cc1cccc(CCC(N)OC(=O)C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CYP2D6 P10635 1/20 0.39
HAO1 Q9UJM8 1/20 0.37
REN P00797 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
FFAR1 O14842 3/20 0.33
PTGES O14684 5/20 0.33
GPR88 Q9GZN0 1/20 0.33
EPHX1 P07099 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
SCHEMBL611605 0.95 FFAR1 (0.35) HRH3CYP2D6HAO1FFAR1EPHX1
SCHEMBL614202 0.88 FFAR1 (0.39) HAO1FFAR1PTGES
SCHEMBL613506 0.86 CYP2D6 (0.38) HRH3CYP2D6HAO1FFAR1PTGES
SCHEMBL610814 0.83 PTGES (0.41) BACE1FFAR1PTGES
SCHEMBL612775 0.82 NPC1 (0.35) FFAR1PTGES
SCHEMBL613495 0.80 PTGES (0.41) HAO1BACE1FFAR1PTGESEPHX1
SCHEMBL612860 0.79 PTGES (0.41) HRH3HAO1BACE1FFAR1PTGES
Trifluoroacetic Acid SCHEMBL613577 0.76 CYP2D6 (0.41) HRH3CYP2D6HAO1FFAR1PTGES
SCHEMBL3837471 0.72 HRH3 (0.56) HRH3CYP2D6HAO1PTGES
SCHEMBL27971560 0.72 HRH3 (0.45) HRH3CYP2D6HAO1FFAR1PTGES

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 HRH3 288/4885CYP2D6 3706/4885HAO1 2502/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885CYP2D6 3706/4885HAO1 2502/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885CYP2D6 3706/4885HAO1 2502/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT HRH3 288/4885CYP2D6 3706/4885HAO1 2502/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT HRH3 288/4885CYP2D6 3706/4885HAO1 2502/4885

“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.