SCHEMBL1307256

SCHEMBL1307256

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)C1)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.45
▸ GCGR P47871 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ DRD4 P21917 6/20 0.37
▸ DRD2 P14416 5/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL1307262 1.00 P2RX3 (0.45) P2RX3GCGRSIGMAR1DRD4DRD2
SCHEMBL1306086 0.92 P2RX3 (0.46) P2RX3
SCHEMBL1306091 0.92 P2RX3 (0.46) P2RX3
SCHEMBL1306976 0.91 P2RX3 (0.47) P2RX3
SCHEMBL1306981 0.91 P2RX3 (0.47) P2RX3
SCHEMBL2893536 0.90 P2RX3 (0.47) P2RX3HSD17B10
SCHEMBL2893541 0.90 P2RX3 (0.47) P2RX3HSD17B10
SCHEMBL17043184 0.90 P2RX3 (0.48) P2RX3SIGMAR1
SCHEMBL17043181 0.90 P2RX3 (0.48) P2RX3SIGMAR1
SCHEMBL1306725 0.89 P2RX3 (0.47) P2RX3

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 4630/4885GCGR 3742/4885SIGMAR1 3734/4885

“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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