SCHEMBL4504572

SCHEMBL4504572

COc1cccc(CNC(=O)c2ccc3cc(OC4CCN(C(C)C)C4)ccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
MMP13 P45452 3/20 0.53
TP53 P04637 1/20 0.51
SLC5A7 Q9GZV3 1/20 0.51
KDM2B Q8NHM5 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ACHE P22303 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL4498161 0.95 HRH3 (0.59) HRH3MMP13TP53SLC5A7
SCHEMBL4497208 0.86 MEN1 (0.63) HRH3MMP13TP53SLC5A7ALDH1A1
SCHEMBL5133184 0.83 HRH3 (0.50) HRH3SLC5A7
SCHEMBL4511966 0.80 HRH3 (0.63) HRH3SLC5A7
SCHEMBL4512430 0.79 HRH3 (0.62) HRH3SLC5A7
SCHEMBL4666174 0.78 ROCK2 (0.59) MMP13SLC5A7ALDH1A1GAALMNA
SCHEMBL4497207 0.77 MEN1 (0.65) HRH3SLC5A7ALDH1A1LMNAACHE
SCHEMBL4488318 0.76 HRH3 (0.69) HRH3SLC5A7
SCHEMBL4512363 0.76 MMP13 (0.53) MMP13TP53ALDH1A1GAALMNA
SCHEMBL4499057 0.75 HRH3 (0.68) HRH3SLC5A7

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 1/4885MMP13 4373/4885TP53 3334/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885MMP13 4373/4885TP53 3334/4885

“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.