SCHEMBL1856572

SCHEMBL1856572

c1c(OCCCN2CCCCC2)noc1CN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 1.00
KCNH2 Q12809 2/20 0.46
MAPK1 P28482 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ACHE P22303 1/20 0.46
RAD52 P43351 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL12630632 0.94 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL1859593 0.82 HRH3 (0.78) HRH3KCNH2SIGMAR1ALDH1A1ACHE
SCHEMBL1857469 0.82 HRH3 (0.78) HRH3SIGMAR1
SCHEMBL1865018 0.78 HRH3 (0.85) HRH3ACHERAD52
SCHEMBL1860237 0.74 HRH3 (1.00) HRH3
SCHEMBL1855965 0.74 HRH3 (0.65) HRH3
SCHEMBL3569242 0.74 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL3570492 0.74 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL1855803 0.73 HRH3 (1.00) HRH3KCNH2MAPK1SIGMAR1ALDH1A1
SCHEMBL28605278 0.72 LTA4H (0.61) HRH3SIGMAR1ALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US claimed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US claimed
EP-1761496-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 EP claimed
WO-2005097751-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO claimed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 US claimed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7947718-B2 Isoxazole compounds as histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
EP-1761496-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 EP disclosed
WO-2005097751-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3-RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 US 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 (3 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-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 1253/4885MAPK1 3907/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 692/4885MAPK1 2269/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 692/4885MAPK1 2269/4885

“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.