SCHEMBL233840

SCHEMBL233840

CCC(O)(C#Cc1cccc(C(O)CCN)c1)CC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
RIPK1 Q13546 1/20 0.32
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
GALR3 O60755 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL232521 0.90 PNMT (0.33) PNMTRIPK1LMNAHIF1AGALR3
SCHEMBL235439 0.90 PNMT (0.33) PNMTRIPK1LMNAHIF1AGALR3
SCHEMBL232520 0.90 PNMT (0.33) PNMTRIPK1LMNAHIF1AGALR3
SCHEMBL15461611 0.89 RIPK1 (0.33) RIPK1LMNAHIF1AGALR3
SCHEMBL235846 0.84 RIPK1 (0.35) PNMTRIPK1
SCHEMBL21941381 0.84 AOC3 (0.33) PNMT
SCHEMBL234337 0.81 ADRB1 (0.33) PNMTLMNAADORA3ADORA2AADORA2B
SCHEMBL237395 0.81 CNR1 (0.34)
SCHEMBL15461598 0.80 RIPK1 (0.36) PNMTRIPK1LMNAHIF1AGALR3
SCHEMBL237580 0.79 PNMT (0.43) PNMTLMNAHIF1AGALR3ADORA3

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 69 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
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
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP 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

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 PNMT 2981/4885RIPK1 1735/4885LMNA 183/4885
US-10730825-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 PNMT 2665/4885RIPK1 4149/4885LMNA 567/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C PNMT 2981/4885RIPK1 1735/4885LMNA 183/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PNMT 2981/4885RIPK1 1735/4885LMNA 183/4885
US-11795136-B2 Methods for the treatment of diabetic retinopathy and other ophthalmic diseases ALDH1A2, ALDH1A3, RBP4 PNMT 2665/4885RIPK1 4149/4885LMNA 567/4885
US-20210171435-A1 Methods for the Treatment of Diabetic Retinopathy and other Ophthalmic Diseases ALDH1A2, ALDH1A3, RBP4 PNMT 2665/4885RIPK1 4149/4885LMNA 567/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PNMT 2981/4885RIPK1 1735/4885LMNA 183/4885

“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.