SCHEMBL611238

SCHEMBL611238

NCCC(O)c1cccc(CCCCC(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.44
▸ CYSLTR1 Q9Y271 1/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ PGK1 P00558 1/20 0.36
▸ PGK2 P07205 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36

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
SCHEMBL3180843 0.92 L3MBTL1 (0.40) CYSLTR2CYSLTR1L3MBTL1MPOPGK1
SCHEMBL10235718 0.88 CYSLTR2 (0.43) CYSLTR2CYSLTR1L3MBTL1
SCHEMBL10279312 0.86 HDAC6 (0.43) CYSLTR2CYSLTR1HDAC6LMNAADRB3
SCHEMBL610735 0.86 ALOX5 (0.44) CYSLTR2CYSLTR1FAAHNOS1NOS2
SCHEMBL611906 0.85 MAOA (0.50) CYSLTR2CYSLTR1
SCHEMBL612176 0.85 MAOA (0.50) CYSLTR2CYSLTR1
SCHEMBL611051 0.84 CYP4F2 (0.41) CYSLTR2CYSLTR1PGK1PGK2NOS1
SCHEMBL611569 0.83 CYP4F2 (0.40) CYSLTR2CYSLTR1ADRB2ADRB1PGK1
SCHEMBL612707 0.83 CYP4F2 (0.40) CYSLTR2CYSLTR1ADRB2ADRB1PGK1
SCHEMBL611534 0.82 TAAR1 (0.39) CYSLTR2CYSLTR1PGK1PGK2NOS1

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 32 patents — showing the first 20. 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-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 — — US disclosed
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-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-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 — — 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 — — 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-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 — — 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
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 — — 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
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 (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 CYSLTR2 556/4885CYSLTR1 668/4885HDAC6 680/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885HDAC6 680/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885HDAC6 680/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885HDAC6 680/4885

“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.

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