SCHEMBL612705

SCHEMBL612705

O=C(NCCC(O)c1cccc(C#CCCO)c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
ASIC3 Q9UHC3 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
ALOX5 P09917 3/20 0.33
EPHX2 P34913 3/20 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
SCHEMBL237177 0.94 MTNR1A (0.34) FGFR3KDRMTNR1AMTNR1BCNR1
SCHEMBL238034 0.91 MTNR1A (0.36) FGFR3KDRMTNR1AMTNR1BCNR1
SCHEMBL612903 0.88 ALOX5 (0.35) MTNR1AMTNR1BCNR1CNR2ALOX5
SCHEMBL234786 0.88 EPHX1 (0.39) ALOX5EPHX2
SCHEMBL236861 0.87 ALOX5 (0.37) MTNR1AMTNR1BALOX5EPHX2
SCHEMBL233181 0.87 FFAR1 (0.40) MTNR1AMTNR1BCNR1CNR2ALOX5
SCHEMBL233180 0.87 FFAR1 (0.40) MTNR1AMTNR1BCNR1CNR2ALOX5
SCHEMBL610844 0.86 MTNR1A (0.35) MTNR1AMTNR1BCNR1CNR2ALOX5
SCHEMBL254315 0.86 MTNR1A (0.42) MTNR1AMTNR1BCNR1CNR2ALOX5
SCHEMBL232928 0.86 HAO1 (0.39) MTNR1AMTNR1BCNR1CNR2ALOX5

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 8 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-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-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 (4 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT FGFR3 3458/4885KDR 1298/4885MTNR1A 48/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT FGFR3 3458/4885KDR 1298/4885MTNR1A 48/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT FGFR3 3458/4885KDR 1298/4885MTNR1A 48/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT FGFR3 3458/4885KDR 1298/4885MTNR1A 48/4885

“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.