SCHEMBL10279769

SCHEMBL10279769

CCCC(O)(CCC)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ KIF11 P52732 2/20 0.42
▸ ACSS2 Q9NR19 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ KCNN4 O15554 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PTPN5 P54829 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
SCHEMBL19040922 0.81 CNR2 (0.53) CNR2CNR1KIF11ACSS2ENPP2
SCHEMBL12262386 0.77 ENPP2 (0.46) CNR2CNR1KIF11ACSS2ENPP2
SCHEMBL19954823 0.75 CNR2 (0.61) CNR2CNR1KIF11DRD2DRD3
SCHEMBL612642 0.74 FFAR1 (0.40) CNR2CNR1ENPP2DRD2GSK3B
SCHEMBL3435209 0.74 CNR2 (0.46) CNR2CNR1KIF11ACSS2ENPP2
SCHEMBL611772 0.73 GLA (0.42) CNR2CNR1DRD2CTSSCTSK
SCHEMBL21891465 0.73 KIF11 (0.44) CNR2CNR1KIF11ENPP2DRD2
SCHEMBL10279362 0.73 PNMT (0.39) KIF11DRD3TSHRNFKB1
SCHEMBL25071084 0.72 KIF11 (0.44) CNR2CNR1KIF11ACSS2ENPP2
SCHEMBL4698316 0.72 CNR2 (0.45) CNR2CNR1KIF11ACSS2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 — — 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 (3 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CNR2 893/4885CNR1 1109/4885KIF11 1572/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CNR2 893/4885CNR1 1109/4885KIF11 1572/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT CNR2 893/4885CNR1 1109/4885KIF11 1572/4885

“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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