SCHEMBL4512059

SCHEMBL4512059

O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 1.00
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL4503395 1.00 HRH3 (1.00) HRH3ALDH1A1HPGDKDM4E
SCHEMBL4505393 1.00 HRH3 (1.00) HRH3ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL5035251 0.99 HRH3 (0.98) HRH3ALDH1A1HPGDKDM4E
SCHEMBL4511907 0.99 HRH3 (0.98) HRH3ALDH1A1HPGDKDM4E
SCHEMBL4507021 0.93 HRH3 (0.87) HRH3ALDH1A1HPGDKDM4E
SCHEMBL4493222 0.92 HRH3 (0.85) HRH3KDM4E
SCHEMBL4506964 0.91 HRH3 (0.83) HRH3
SCHEMBL4496421 0.91 HRH3 (0.83) HRH3
SCHEMBL4498946 0.90 HRH3 (0.81) HRH3KDM4E
SCHEMBL4490173 0.90 HRH3 (0.81) HRH3KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755593-B1 NAPHTHALENE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-20070265254-A1 Naphthaline derivatives as H3 inverse agonists MCARTHUR SILVIA G 2007-11-15 US claimed
US-7259158-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US claimed
EP-1755593-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP claimed
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HOFFMAN-LA ROCHE INC. 2006-01-12 US claimed
WO-2005117865-A1 NAPHTHALINE DERIVATIVES USEFUL AS HISTAMINE-3-RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO claimed
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 1/4885ALDH1A1 1233/4885HPGD 356/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 1233/4885HPGD 356/4885

“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.