SCHEMBL1307075

SCHEMBL1307075

O=C(NOC1CCCCO1)c1ccc(/C=C(/CNC2CCN(Cc3ccccc3)C2)COc2cccc3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.77
▸ DRD4 P21917 13/20 0.42
▸ DRD2 P14416 12/20 0.42
▸ GCGR P47871 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A12 P48065 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL1307078 1.00 P2RX3 (0.77) P2RX3DRD4DRD2GCGRHDAC3
SCHEMBL1307080 1.00 P2RX3 (0.77) P2RX3DRD4DRD2GCGRHDAC3
SCHEMBL1307137 0.92 P2RX3 (0.79) P2RX3DRD4DRD2
SCHEMBL1307140 0.92 P2RX3 (0.79) P2RX3DRD4DRD2
SCHEMBL1307141 0.92 P2RX3 (0.79) P2RX3DRD4DRD2
SCHEMBL1307841 0.89 P2RX3 (0.81) P2RX3
SCHEMBL1306888 0.89 P2RX3 (0.84) P2RX3
SCHEMBL1306886 0.89 P2RX3 (0.84) P2RX3
SCHEMBL1306883 0.89 P2RX3 (0.84) P2RX3
SCHEMBL1307847 0.89 P2RX3 (0.81) 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 4630/4885DRD4 4337/4885DRD2 4611/4885

“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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