SCHEMBL3179388

SCHEMBL3179388

NCCOc1cccc(CCC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.48
▸ CSF3R Q99062 1/20 0.47
▸ ACHE P22303 3/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.45
▸ F10 P00742 1/20 0.44
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL611960 0.91 CNR1 (0.50) FFAR1CSF3RACHEKCNH2TAAR1
SCHEMBL29818702 0.87 PPARG (0.47) FFAR1CSF3RACHETAAR1PPARG
SCHEMBL2208586 0.87 PPARG (0.47) FFAR1CSF3RACHETAAR1PPARG
SCHEMBL11400956 0.87 FFAR1 (0.64) FFAR1KCNH2CYP4F2CYP4A11SIRT2
SCHEMBL6631625 0.84 NR1H3 (0.48) TAAR1LTA4H
SCHEMBL2206953 0.84 TAAR1 (0.50) TAAR1LTA4H
SCHEMBL29818781 0.84 TAAR1 (0.50) TAAR1LTA4H
SCHEMBL13959280 0.83 ACHE (0.56) FFAR1ACHEKCNH2F10CYP2D6
SCHEMBL13959276 0.83 FFAR1 (0.51) FFAR1ACHETAAR1CYP4F2CYP4A11
SCHEMBL2912575 0.82 FFAR1 (0.66) FFAR1CYP4F2CYP4A11CYP2D6

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 7 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
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 (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 FFAR1 1035/4885CSF3R 4828/4885ACHE 3354/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C FFAR1 1035/4885CSF3R 4828/4885ACHE 3354/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C FFAR1 1035/4885CSF3R 4828/4885ACHE 3354/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C FFAR1 1035/4885CSF3R 4828/4885ACHE 3354/4885

“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.

Send feedback