SCHEMBL1859593

SCHEMBL1859593

ClCc1cc(OCCCN2CCCCC2)no1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.78
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.47
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 2/20 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 0.87 HRH3 (1.00) HRH3ACHERAD52
SCHEMBL1857469 0.86 HRH3 (0.78) HRH3SIGMAR1
SCHEMBL1856572 0.82 HRH3 (1.00) HRH3SIGMAR1ACHERAD52ALDH1A1
SCHEMBL1855965 0.78 HRH3 (0.65) HRH3
SCHEMBL1860237 0.78 HRH3 (1.00) HRH3
SCHEMBL1220783 0.73 CXCR1 (0.56) HRH3
SCHEMBL1858284 0.73 HRH3 (0.58) HRH3ALDH1A1
SCHEMBL8375534 0.70 CHRM1 (0.55) HRH3
Hydrochloric Acid SCHEMBL8375520 0.69 CHRM1 (0.54) HRH3
SCHEMBL29550011 0.69 LTA4H (0.61) HRH3KCNH2

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-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
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 1/4885SIGMAR1 524/4885ACHE 2439/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885SIGMAR1 110/4885ACHE 1967/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885SIGMAR1 110/4885ACHE 1967/4885

“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.