SCHEMBL4494826

SCHEMBL4494826

O=C(c1ccc2cc(O)ccc2c1)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
PKM P14618 1/20 0.59
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HSP90AA1 P07900 2/20 0.56
HSP90AB1 P08238 2/20 0.56
PHGDH O43175 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HRH3 Q9Y5N1 1/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
DNMT1 P26358 1/20 0.51
PTPN7 P35236 1/20 0.51

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
SCHEMBL20021992 0.86 TSHR (0.68) HPGDPKMLMNAUSP2ALDH1A1
SCHEMBL31428791 0.86 TSHR (0.68) HPGDPKMLMNAUSP2ALDH1A1
SCHEMBL4503263 0.85 L3MBTL3 (0.60) HPGDLMNAUSP2ALDH1A1GAA
SCHEMBL4496125 0.84 HPGD (0.61) HPGDLMNAUSP2ALDH1A1GAA
SCHEMBL1897341 0.84 PKM (0.59) HPGDPKMHSP90AA1HSP90AB1PHGDH
SCHEMBL2199279 0.83 PHGDH (0.71) HPGDPKMALDH1A1GAAMAPT
SCHEMBL16302094 0.83 HPGD (0.62) HPGDPKMLMNAALDH1A1GAA
SCHEMBL14320950 0.83 PKM (0.57) HPGDPKMLMNAALDH1A1GAA
SCHEMBL1587695 0.83 LMNA (0.56) HPGDLMNAUSP2ALDH1A1GAA
SCHEMBL8182828 0.82 PHGDH (0.69) HPGDPKMALDH1A1GAAMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1755593-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 US disclosed
WO-2005117865-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO 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 (2 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-20070265254-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HPGD 356/4885PKM 2252/4885LMNA 1696/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HPGD 356/4885PKM 2252/4885LMNA 1696/4885

“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.