SCHEMBL1856562

SCHEMBL1856562

O=C(O)c1cnc(CN2CCOCC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.62
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
CXCR4 P61073 1/20 0.45
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
KMO O15229 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30874239 0.91 HRH3 (0.62) HRH3HTTPOLBCXCR4HIF1A
SCHEMBL1860543 0.84 HRH3 (0.60) HRH3POLBHIF1ASMN1; SMN2KDM4E
SCHEMBL1859625 0.83 HRH3 (0.60) HRH3CXCR4HIF1AEPAS1SMN1; SMN2
SCHEMBL14905955 0.78 CXCR4 (0.47) HRH3HTTPOLBCXCR4KMO
SCHEMBL22675550 0.78 HIF1A (0.60) HRH3HTTHIF1AEPAS1SMN1; SMN2
SCHEMBL2305325 0.78 HRH3 (0.62) HRH3HTTPOLBCXCR4HIF1A
SCHEMBL1863041 0.77 HRH3 (1.00) HRH3
SCHEMBL17075537 0.77 HRH3 (0.61) HRH3HTTPOLBCXCR4HIF1A
SCHEMBL11981676 0.76 CXCR4 (0.51) HRH3CXCR4SMN1; SMN2CYP2C9ALOX15
SCHEMBL465725 0.75 CXCR4 (0.69) HTTCXCR4HIF1AEPAS1SMN1; SMN2

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 8 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 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-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
CN-1972914-A As histamine H3Non-imidazole heterocyclic compounds of receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 CN 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 1/4885HTT 466/4885POLB 4585/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885HTT 348/4885POLB 4797/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885HTT 348/4885POLB 4797/4885

“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.