SCHEMBL1305505

SCHEMBL1305505

CN1CCC(NC(=O)C(=Cc2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.65
▸ TGFBR1 P36897 1/20 0.38
▸ SSTR4 P31391 5/20 0.36
▸ PTK2 Q05397 2/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SSTR1 P30872 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PREP P48147 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34

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
SCHEMBL1305500 1.00 P2RX3 (0.65) P2RX3TGFBR1SSTR4PTK2SLC6A5
SCHEMBL1307312 0.93 P2RX3 (0.64) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1307308 0.93 P2RX3 (0.64) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1306712 0.93 P2RX3 (0.75) P2RX3TGFBR1MEN1KMT2AALDH1A1
SCHEMBL1306706 0.93 P2RX3 (0.75) P2RX3TGFBR1MEN1KMT2AALDH1A1
SCHEMBL1307172 0.92 P2RX3 (0.63) P2RX3TGFBR1ALDH1A1
SCHEMBL1307174 0.92 P2RX3 (0.63) P2RX3TGFBR1ALDH1A1
SCHEMBL1306334 0.85 P2RX3 (0.60) P2RX3TGFBR1PREP
SCHEMBL1306331 0.85 P2RX3 (0.60) P2RX3TGFBR1PREP
SCHEMBL1305508 0.85 P2RX3 (0.56) P2RX3SSTR4SSTR1ALDH1A1PREP

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 1626/4885SSTR4 4854/4885

“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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