SCHEMBL4490489

SCHEMBL4490489

CN1CCCCC1CCOc1ccc2cc(C(=O)N3CCOCC3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.77
MAPT P10636 1/20 0.51
HCRTR1 O43613 2/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD4 P21917 1/20 0.49
SLC6A2 P23975 1/20 0.49
HRH2 P25021 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
HCRTR2 O43614 1/20 0.47

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
SCHEMBL4498021 0.98 HRH3 (0.80) HRH3MAPTHCRTR1CHRM2CHRM1
SCHEMBL4499159 0.92 HRH3 (0.86) HRH3HCRTR1HCRTR2
SCHEMBL4498746 0.91 HRH3 (0.84) HRH3HCRTR1HCRTR2
SCHEMBL4511789 0.88 HRH3 (0.77) HRH3HCRTR1HCRTR2
SCHEMBL4505674 0.87 HRH3 (0.79) HRH3HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5032580 0.87 HRH3 (0.75) HRH3HCRTR1HCRTR2
SCHEMBL4505100 0.87 HRH3 (1.00) HRH3HCRTR1
SCHEMBL4501872 0.87 HRH3 (0.74) HRH3HCRTR1HCRTR2
SCHEMBL4502417 0.86 HRH3 (0.80) HRH3HCRTR1HCRTR2
SCHEMBL4511782 0.85 HRH3 (0.81) 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 5 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
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 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 (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 1/4885MAPT 2772/4885HCRTR1 171/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885MAPT 2772/4885HCRTR1 171/4885

“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.