SCHEMBL3227928

SCHEMBL3227928

COCc1cccc(C(O)CCN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
DRD1 P21728 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PNMT P11086 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
SCHEMBL3183812 0.85 TAAR1 (0.41) AOC3L3MBTL1DRD1PNMTPGK1
SCHEMBL611247 0.82 TAAR1 (0.39) AOC3L3MBTL1ADRB2ADRB1DRD1
SCHEMBL20816003 0.82 LMNA (0.50) AOC3L3MBTL1HIF1AADRB2ADRB1
SCHEMBL17277380 0.82 CYP3A4 (0.41) HIF1ASLC6A3PNMTLMNAPGK1
SCHEMBL20816005 0.82 LMNA (0.50) AOC3L3MBTL1HIF1AADRB2ADRB1
SCHEMBL610601 0.81 TAAR1 (0.38) AOC3PGK1PGK2
SCHEMBL10287476 0.81 TSHR (0.43) TSHRNFKB1LMNA
SCHEMBL3176240 0.81 F10 (0.50)
SCHEMBL611204 0.80 CYSLTR2 (0.37) ADRB2ADRB1ADRB3
SCHEMBL13959620 0.80 PRSS1 (0.41) ADRB2PNMTPGK1PGK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C AOC3 1520/4885L3MBTL1 2734/4885HIF1A 2370/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C AOC3 1520/4885L3MBTL1 2734/4885HIF1A 2370/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C AOC3 1520/4885L3MBTL1 2734/4885HIF1A 2370/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C AOC3 1520/4885L3MBTL1 2734/4885HIF1A 2370/4885

“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.