SCHEMBL235834

SCHEMBL235834

NCCC(O)c1cccc(C#Cc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.40
GRM5 P41594 1/20 0.38
PTGES O14684 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC16A3 O15427 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GRM4 Q14833 1/20 0.35
AOC3 Q16853 1/20 0.35

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
SCHEMBL234847 0.91 HRH1 (0.44) HRH1PTGESASIC3KMT2ALMNA
SCHEMBL232765 0.82 KMT2A (0.40) HRH1PTGESKMT2ALMNAGRM4
SCHEMBL16445317 0.81 ALOX5 (0.38) HRH1KMT2ALMNAGRM4AOC3
SCHEMBL236582 0.79 KMT2A (0.36) HRH1KMT2ALMNAGRM4
SCHEMBL237225 0.79 OPRK1 (0.35) HRH1ASIC3GRM4
SCHEMBL233685 0.79 CA12 (0.42) KMT2A
SCHEMBL236428 0.79 FFAR1 (0.43) HRH1GRM5KMT2ALMNA
SCHEMBL236434 0.79 FFAR1 (0.43) HRH1GRM5KMT2ALMNA
SCHEMBL16030670 0.78 CYP2A6 (0.48) GRM5PTGESCHRNB2CHRNA4
SCHEMBL16031611 0.78 CYP2A6 (0.39) GRM5ASIC3KMT2AMEN1GRM4

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 22 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-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 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 (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 HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C HRH1 2979/4885GRM5 4439/4885PTGES 198/4885

“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.