SCHEMBL236169

SCHEMBL236169

CCCC(O)(C#Cc1cccc(CCCN)c1)CCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
PTGES O14684 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR6 P50406 1/20 0.33
MAOA P21397 1/20 0.33
GHSR Q92847 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
SCHEMBL236621 0.96 MAOA (0.38) KIF11LPLLIPGPTGESMAOA
SCHEMBL232960 0.94 LPL (0.37) KIF11LPLLIPGPTGESTAAR1
SCHEMBL236218 0.92 TAAR1 (0.41) KIF11TAAR1DRD2DRD1CYP2D6
SCHEMBL15461600 0.91 LPL (0.40) LPLLIPGPTGESDRD2DRD1
SCHEMBL235253 0.89 TAAR1 (0.35) KIF11LPLLIPGPTGESTAAR1
SCHEMBL233408 0.88 MAPT (0.36) KIF11LPLLIPGPTGESTAAR1
SCHEMBL232700 0.86 ENPP2 (0.39) PTGESCYP2D6HRH4HRH3
SCHEMBL235866 0.85 MEN1 (0.41) PTGESTAAR1CYP2D6HRH4HRH3
SCHEMBL236313 0.83 CYP2D6 (0.39) PTGESTAAR1DRD2DRD1CYP2D6
SCHEMBL236307 0.83 PTGES (0.37) PTGESTAAR1DRD2DRD1CYP2D6

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US claimed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US claimed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US claimed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US claimed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US claimed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP claimed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US claimed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO claimed
US-11795136-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC. (US) 2023-10-24 US disclosed
US-20210171435-A1 Methods for the Treatment of Diabetic Retinopathy and other Ophthalmic Diseases ACUCELA INC. 2021-06-10 US disclosed
US-10730825-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC. (US) 2020-08-04 US disclosed
EP-2844636-B1 METHODS FOR THE TREATMENT OF PROLIFERATIVE DIABETIC RETINOPATHY ACUCELA INC (US) 2020-04-22 EP disclosed
US-9957224-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ACUCELA INC (US) 2018-05-01 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 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 (7 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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C KIF11 2636/4885LPL 161/4885LIPG 218/4885
US-10730825-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 KIF11 3259/4885LPL 524/4885LIPG 144/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C KIF11 2636/4885LPL 161/4885LIPG 218/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C KIF11 2636/4885LPL 161/4885LIPG 218/4885
US-11795136-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 KIF11 3259/4885LPL 524/4885LIPG 144/4885
US-20210171435-A1 Methods for the Treatment of Diabetic Retinopathy and other Ophthalmic Diseases ALDH1A2, ALDH1A3, RBP4 KIF11 3259/4885LPL 524/4885LIPG 144/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C KIF11 2636/4885LPL 161/4885LIPG 218/4885

“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.