SCHEMBL4498291

SCHEMBL4498291

NC(=O)c1c(C(=O)OCc2ccccc2)ccc2cc(OCCCN3CCCCC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 3/20 0.53
MET P08581 6/20 0.52
ALDH1A1 P00352 2/20 0.51
NPY1R P25929 1/20 0.51
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.48
HRH3 Q9Y5N1 5/20 0.48

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
SCHEMBL4506214 0.87 HRH3 (0.55) MAOBHRH3
SCHEMBL4504735 0.86 SCN1A (0.49) MAOBHRH3
SCHEMBL4498814 0.85 MAOB (0.49) KDM4EALDH1A1MAOBHRH3
SCHEMBL4490641 0.85 HRH3 (0.49) MAOBHRH3
SCHEMBL4499952 0.83 CHRNB2 (0.48) METMAOBHRH3
SCHEMBL4501879 0.82 HRH3 (0.52) METMAOBHRH3
SCHEMBL5562276 0.78 ACP1 (0.41) MAOB
SCHEMBL4511365 0.76 AKR1B1 (0.50) NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL4507422 0.74 HRH3 (0.48) MAOBHRH3
SCHEMBL11330620 0.74 MAOB (0.47) KDM4EALDH1A1MAOBHRH3

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 NPC1 299/4885RAB9A 2548/4885SMN1; SMN2 2216/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 NPC1 299/4885RAB9A 2548/4885SMN1; SMN2 2216/4885

“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.