SCHEMBL1307141

SCHEMBL1307141

CCN1CCC(NCC(=Cc2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.79
▸ TGFBR1 P36897 1/20 0.36
▸ PREP P48147 2/20 0.34
▸ ACSS2 Q9NR19 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL1307137 1.00 P2RX3 (0.79) P2RX3TGFBR1PREPACSS2ALDH1A1
SCHEMBL1307140 1.00 P2RX3 (0.79) P2RX3TGFBR1PREPACSS2ALDH1A1
SCHEMBL1306886 0.96 P2RX3 (0.84) P2RX3TGFBR1PREPALDH1A1MEN1
SCHEMBL1306883 0.96 P2RX3 (0.84) P2RX3TGFBR1PREPALDH1A1MEN1
SCHEMBL1306888 0.96 P2RX3 (0.84) P2RX3TGFBR1PREPALDH1A1MEN1
SCHEMBL1307080 0.92 P2RX3 (0.77) P2RX3DRD2DRD4
SCHEMBL1307075 0.92 P2RX3 (0.77) P2RX3DRD2DRD4
SCHEMBL1307078 0.92 P2RX3 (0.77) P2RX3DRD2DRD4
SCHEMBL1307841 0.90 P2RX3 (0.81) P2RX3TGFBR1PREPALDH1A1MEN1
SCHEMBL1307847 0.90 P2RX3 (0.81) P2RX3TGFBR1PREPALDH1A1MEN1

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
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 P2RX3 4630/4885TGFBR1 1626/4885PREP 1557/4885

“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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