SCHEMBL4498746

SCHEMBL4498746

CN1CCCC1CCOc1ccc2cc(C(=O)N3CCCCC3)ccc2c1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.84
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HCRTR1 O43613 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCRTR2 O43614 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ESRRG P62508 3/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL4499159 0.99 HRH3 (0.86) HRH3HPGDALDH1A1HCRTR1MEN1
SCHEMBL4505100 0.92 HRH3 (1.00) HRH3HPGDHCRTR1
SCHEMBL4490489 0.91 HRH3 (0.77) HRH3HCRTR1HCRTR2
SCHEMBL4511789 0.91 HRH3 (0.77) HRH3HPGDALDH1A1HCRTR1MEN1
SCHEMBL4502417 0.91 HRH3 (0.80) HRH3HPGDALDH1A1HCRTR1MEN1
SCHEMBL4498021 0.91 HRH3 (0.80) HRH3HPGDHCRTR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5032580 0.90 HRH3 (0.75) HRH3HPGDALDH1A1HCRTR1MEN1
SCHEMBL4505674 0.90 HRH3 (0.79) HRH3ALDH1A1HCRTR1HCRTR2L3MBTL3
SCHEMBL4511782 0.90 HRH3 (0.81) HRH3HPGDHCRTR1HCRTR2L3MBTL3
SCHEMBL4501872 0.89 HRH3 (0.74) HRH3HCRTR1HCRTR2

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 7 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
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-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 HRH3 1/4885HPGD 356/4885ALDH1A1 1233/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885HPGD 356/4885ALDH1A1 1233/4885

“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.