SCHEMBL4497208

SCHEMBL4497208

COc1cccc(CNC(=O)c2ccc3cc(OC4CCN(CC(C)C)CC4)ccc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HRH3 Q9Y5N1 1/20 0.57
CCR3 P51677 1/20 0.53
MMP13 P45452 3/20 0.53
ACHE P22303 1/20 0.52
DRD4 P21917 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
TP53 P04637 1/20 0.51
MAPK14 Q16539 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
SLC5A7 Q9GZV3 1/20 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
SCHEMBL4498161 0.89 HRH3 (0.59) HRH3MMP13TP53SLC5A7
SCHEMBL4504572 0.86 HRH3 (0.55) HRH3MMP13ACHETP53ALDH1A1
SCHEMBL4666174 0.78 ROCK2 (0.59) KMT2ACCR3MMP13MAPK14ALDH1A1
SCHEMBL5133184 0.78 HRH3 (0.50) HRH3SLC5A7
SCHEMBL3035661 0.76 MMP13 (0.76) MMP13ALDH1A1LMNAHPGD
SCHEMBL4933009 0.76 SLC5A7 (0.57) MEN1KMT2AMMP13MAPK14ALDH1A1
SCHEMBL15028217 0.75 MMP13 (0.67) MEN1KMT2AMMP13MAPK14ALDH1A1
SCHEMBL4500972 0.75 HRH3 (0.58) KMT2AHRH3MMP13ACHEDRD4
SCHEMBL4666181 0.75 OPRK1 (0.61) MEN1KMT2AMMP13MAPK14HPGD
SCHEMBL4932164 0.75 SLC5A7 (0.68) MEN1KMT2ACCR3MMP13MAPK14

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 MEN1 2140/4885KMT2A 588/4885HRH3 1/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 MEN1 2140/4885KMT2A 588/4885HRH3 1/4885

“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.