SCHEMBL4500972

SCHEMBL4500972

COc1cccc(CNC(=O)c2ccc3cc(OCCC4CCCN4C)ccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
MMP13 P45452 3/20 0.54
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.52
ACHE P22303 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
NPC1 O15118 1/20 0.50
APOBEC3A P31941 1/20 0.50
KMT2A Q03164 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ADORA2A P29274 1/20 0.49
MAPK14 Q16539 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL4512363 0.85 MMP13 (0.53) MMP13ALDH1A1GAATP53ACHE
SCHEMBL4500185 0.84 ALDH1A1 (0.60) HRH3MMP13ALDH1A1GAASLC6A2
SCHEMBL4514231 0.84 ALDH1A1 (0.51) HRH3MMP13ALDH1A1GAATP53
SCHEMBL11448768 0.78 CHRNB4 (0.77) HRH3ALDH1A1KMT2A
SCHEMBL4499159 0.76 HRH3 (0.86) HRH3ALDH1A1KMT2AHPGD
SCHEMBL4498161 0.76 HRH3 (0.59) HRH3MMP13TP53
SCHEMBL4499949 0.76 HRH3 (0.60) HRH3ALDH1A1GAAACHEKMT2A
SCHEMBL3035661 0.76 MMP13 (0.76) MMP13ALDH1A1LMNAHPGD
SCHEMBL4498746 0.76 HRH3 (0.84) HRH3ALDH1A1KMT2AHPGD
SCHEMBL11656348 0.75 CHRNB4 (0.73) HRH3ALDH1A1KMT2A

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 4373/4885ALDH1A1 1233/4885
US-20060009449-A1 Naphthaline derivatives as H3 inverse agonists HRH3, HRH4, HRH1 HRH3 1/4885MMP13 4373/4885ALDH1A1 1233/4885

“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.