SCHEMBL13959280

SCHEMBL13959280

CN(C)C(=O)CCc1cccc(OCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.56
▸ CYP2D6 P10635 8/20 0.55
▸ KCNH2 Q12809 7/20 0.54
▸ FFAR1 O14842 1/20 0.51
▸ F10 P00742 1/20 0.48

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
SCHEMBL611282 0.91 CYP2D6 (0.55) ACHECYP2D6KCNH2
SCHEMBL2207909 0.87 CYP2D6 (0.56) ACHECYP2D6KCNH2
SCHEMBL29818840 0.87 CYP2D6 (0.56) ACHECYP2D6KCNH2
SCHEMBL2205020 0.85 PDK2 (0.49) CYP2D6KCNH2
SCHEMBL29818912 0.85 PDK2 (0.49) CYP2D6KCNH2
SCHEMBL3179388 0.83 FFAR1 (0.48) ACHECYP2D6KCNH2FFAR1F10
SCHEMBL23771271 0.82 CYP2D6 (0.71) CYP2D6FFAR1
SCHEMBL13959276 0.81 FFAR1 (0.51) ACHECYP2D6FFAR1
SCHEMBL7557832 0.80 CYP2D6 (0.57) ACHECYP2D6KCNH2
SCHEMBL4568886 0.80 CYP2D6 (0.67) CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 — — 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 (1 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-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C ACHE 3354/4885CYP2D6 3791/4885KCNH2 2318/4885

“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.

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