SCHEMBL17891946

SCHEMBL17891946

NC(O)CCc1cccc(CCC2CCCCC2O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ SLC18A2 Q05940 1/20 0.33
▸ SLC18A3 Q16572 2/20 0.33

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
SCHEMBL612081 0.81 SLC18A3 (0.39) CA1CA2CA4CTSKSLC18A3
SCHEMBL612530 0.80 NOS1 (0.33) —
SCHEMBL10235868 0.78 CA1 (0.49) CA1CA2CA4CTSKSLC18A3
SCHEMBL10235823 0.77 CA1 (0.42) CA1CA2CA4
SCHEMBL11474308 0.76 SLC18A3 (0.51) CA1CA2CA4CTSKSLC18A2
SCHEMBL14979616 0.75 MEN1 (0.43) CA1CA2CA4CTSKSLC18A3
SCHEMBL3868004 0.74 EPHX1 (0.35) PTGFR
SCHEMBL608470 0.73 KCNH2 (0.44) —
SCHEMBL18440461 0.73 SLC18A2 (0.54) SLC18A2SLC18A3
SCHEMBL22350147 0.70 PTGER1 (0.49) SCN9APTGFRSLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 — — 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 (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-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CA1 4855/4885CA2 3441/4885CA4 3180/4885

“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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