SCHEMBL1307312

SCHEMBL1307312

CCN1CCC(NC(=O)C(=Cc2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.64
▸ TGFBR1 P36897 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PREP P48147 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 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
SCHEMBL1307308 1.00 P2RX3 (0.64) P2RX3TGFBR1SLC6A5CYP2D6CYP2C19
SCHEMBL1305500 0.93 P2RX3 (0.65) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1305505 0.93 P2RX3 (0.65) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1306706 0.91 P2RX3 (0.75) P2RX3TGFBR1MEN1KMT2AMAPT
SCHEMBL1306712 0.91 P2RX3 (0.75) P2RX3TGFBR1MEN1KMT2AMAPT
SCHEMBL1307172 0.91 P2RX3 (0.63) P2RX3TGFBR1GABRA5ALDH1A1KDM4E
SCHEMBL1307174 0.91 P2RX3 (0.63) P2RX3TGFBR1GABRA5ALDH1A1KDM4E
SCHEMBL1306883 0.88 P2RX3 (0.84) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1306886 0.88 P2RX3 (0.84) P2RX3TGFBR1SLC6A5MEN1KMT2A
SCHEMBL1306888 0.88 P2RX3 (0.84) P2RX3TGFBR1SLC6A5MEN1KMT2A

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 1626/4885SLC6A5 4831/4885

“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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