SCHEMBL4501005

SCHEMBL4501005

COC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1CCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
HRH3 Q9Y5N1 7/20 0.50
HRH1 P35367 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4492506 0.91 HRH3 (0.52) MAOBHRH3
SCHEMBL4505136 0.79 HRH3 (0.48) MAOBHRH3
SCHEMBL4506214 0.78 HRH3 (0.55) MAOBHRH3
SCHEMBL4496358 0.77 HRH3 (0.72) MAOBHRH3POLBMAPTKDM4E
SCHEMBL267674 0.76 MAOB (0.59) MAOBHRH3POLBMAPTKDM4E
SCHEMBL19584941 0.76 MAOB (0.62) MAOBHRH3POLBMAPTKDM4E
SCHEMBL4498814 0.76 MAOB (0.49) MAOBHRH3HRH1POLBMAPT
SCHEMBL4509193 0.75 MAOB (0.48) MAOBHRH3POLBMAPTKDM4E
SCHEMBL4501879 0.75 HRH3 (0.52) MAOBHRH3
SCHEMBL4490641 0.74 HRH3 (0.49) MAOBHRH3HRH1

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 MAOB 1735/4885HRH3 1/4885HRH1 3/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 MAOB 1735/4885HRH3 1/4885HRH1 3/4885

“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.