SCHEMBL4500508

SCHEMBL4500508

CC1CCCCN1CCCOc1ccc2cc(C(=O)N3CCOCC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.68
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD4 P21917 1/20 0.58
SLC6A2 P23975 1/20 0.58
HRH2 P25021 1/20 0.58
SLC6A4 P31645 1/20 0.58
HRH1 P35367 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HRH4 Q9H3N8 1/20 0.58

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
SCHEMBL4500474 0.93 HRH3 (0.68) HRH3
SCHEMBL4505418 0.90 HRH3 (0.76) HRH3
SCHEMBL4499767 0.89 HRH3 (0.62) HRH3
SCHEMBL4500578 0.88 HRH3 (0.76) HRH3
SCHEMBL4501931 0.85 HRH3 (0.59) HRH3
SCHEMBL4502795 0.83 HRH3 (0.55) HRH3
SCHEMBL4490489 0.82 HRH3 (0.77) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4512849 0.81 HRH3 (0.82) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4498021 0.79 HRH3 (0.80) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL1179371 0.78 HRH3 (0.78) HRH3CHRM2CHRM1ADRA2CCHRM3

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 1/4885CHRM2 60/4885CHRM1 65/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885CHRM2 60/4885CHRM1 65/4885

“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.