SCHEMBL4507422

SCHEMBL4507422

CC(C)CN1CCC(Oc2ccc3c(C(N)=O)c(C(=O)OCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRK1 P41145 1/20 0.44
ROCK1 Q13464 2/20 0.43
NEK2 P51955 1/20 0.41
ACSL1 P33121 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CHEK2 O96017 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ROCK2 O75116 1/20 0.37
CCR2 P41597 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL4507451 0.90 HRH3 (0.47) HRH3OPRK1ROCK1NEK2
SCHEMBL4500823 0.87 HRH3 (0.47) HRH3OPRK1ROCK1NEK2ACSL1
SCHEMBL4497211 0.82 HRH3 (0.46) HRH3OPRK1ROCK1ACSL1
SCHEMBL4488322 0.79 HRH3 (0.50) HRH3
SCHEMBL4487264 0.78 HRH3 (0.45) HRH3ROCK1NEK2
SCHEMBL4485816 0.78 HRH3 (0.51) HRH3MAOAMAOB
SCHEMBL4499059 0.77 HRH3 (0.49) HRH3
SCHEMBL4499952 0.75 CHRNB2 (0.48) HRH3MAOB
SCHEMBL4498291 0.74 NPC1 (0.54) HRH3MAOB
SCHEMBL4502300 0.74 HRH3 (0.52) HRH3

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

“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.