SCHEMBL1307172

SCHEMBL1307172

CC(C)N1CCC(NC(=O)/C(=C/c2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.63
▸ HRH3 Q9Y5N1 8/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ GABRA5 P31644 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL1307174 1.00 P2RX3 (0.63) P2RX3HRH3TGFBR1GABRA5F10
SCHEMBL1305505 0.92 P2RX3 (0.65) P2RX3TGFBR1ALDH1A1
SCHEMBL1305500 0.92 P2RX3 (0.65) P2RX3TGFBR1ALDH1A1
SCHEMBL1307308 0.91 P2RX3 (0.64) P2RX3TGFBR1GABRA5KDM4EALDH1A1
SCHEMBL1307312 0.91 P2RX3 (0.64) P2RX3TGFBR1GABRA5KDM4EALDH1A1
SCHEMBL1306706 0.91 P2RX3 (0.75) P2RX3TGFBR1ALDH1A1
SCHEMBL1306712 0.91 P2RX3 (0.75) P2RX3TGFBR1ALDH1A1
SCHEMBL1306974 0.85 P2RX3 (0.54) P2RX3HRH3F10ALDH1A1
SCHEMBL1306977 0.85 P2RX3 (0.54) P2RX3HRH3F10ALDH1A1
SCHEMBL1306211 0.84 P2RX3 (0.63) P2RX3TGFBR1KDM4EALDH1A1

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 4630/4885HRH3 1286/4885TGFBR1 1626/4885

“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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