SCHEMBL4499952

SCHEMBL4499952

CN1CCCC1CCOc1ccc2c(C(N)=O)c(C(=O)OCc3ccccc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA7 P36544 3/20 0.48
CHRNA4 P43681 3/20 0.48
HRH3 Q9Y5N1 2/20 0.48
CHRNA5 P30532 2/20 0.48
KCNH2 Q12809 3/20 0.43
MCHR1 Q99705 2/20 0.43
CHRM3 P20309 2/20 0.42
MAOB P27338 3/20 0.40
ESRRG P62508 6/20 0.40
ESR1 P03372 4/20 0.40
ESRRB O95718 2/20 0.40
MET P08581 1/20 0.39

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
SCHEMBL4504735 0.83 SCN1A (0.49) HRH3KCNH2MAOB
SCHEMBL4498291 0.83 NPC1 (0.54) HRH3MAOBMET
SCHEMBL5562276 0.79 ACP1 (0.41) CHRNB2CHRNA4MAOB
SCHEMBL4507451 0.76 HRH3 (0.47) HRH3
SCHEMBL4500823 0.75 HRH3 (0.47) HRH3
SCHEMBL4507422 0.75 HRH3 (0.48) HRH3MAOB
SCHEMBL4511365 0.73 AKR1B1 (0.50)
SCHEMBL13705353 0.72 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4HRH3CHRNA5
SCHEMBL4506214 0.72 HRH3 (0.55) HRH3KCNH2MAOB
SCHEMBL4490641 0.71 HRH3 (0.49) HRH3MAOB

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 CHRNB2 138/4885CHRNA7 56/4885CHRNA4 75/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 CHRNB2 138/4885CHRNA7 56/4885CHRNA4 75/4885

“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.