SCHEMBL613658

SCHEMBL613658

COCCCc1cccc(OCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
KCNH2 Q12809 5/20 0.49
FDFT1 P37268 1/20 0.49
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
CYP2D6 P10635 3/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL612685 0.96 KDM4E (0.56) KDM4EALDH1A1GAAKCNH2FDFT1
SCHEMBL613483 0.95 KDM4E (0.55) KDM4EALDH1A1GAAKCNH2FDFT1
SCHEMBL611027 0.88 KCNH2 (0.48) KCNH2FDFT1MTNR1AMTNR1BCYP2D6
SCHEMBL613647 0.87 KCNH2 (0.47) KCNH2FDFT1MTNR1AMTNR1BCYP2D6
SCHEMBL613367 0.86 KCNH2 (0.47) KDM4EALDH1A1GAAKCNH2FDFT1
SCHEMBL610624 0.86 KCNH2 (0.47) KCNH2FDFT1MTNR1AMTNR1BCYP2D6
SCHEMBL613552 0.85 HPGD (0.49) ALDH1A1KCNH2FDFT1MTNR1AMTNR1B
SCHEMBL612375 0.85 KCNH2 (0.46) KCNH2FDFT1CYP2D6
SCHEMBL612706 0.84 CNR1 (0.51) KCNH2CYP2D6HPGD
SCHEMBL613250 0.83 KCNH2 (0.58) KCNH2CYP2D6

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 KDM4E 1570/4885ALDH1A1 641/4885GAA 597/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KDM4E 1570/4885ALDH1A1 641/4885GAA 597/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KDM4E 1570/4885ALDH1A1 641/4885GAA 597/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KDM4E 1570/4885ALDH1A1 641/4885GAA 597/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT KDM4E 1570/4885ALDH1A1 641/4885GAA 597/4885

“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.