SCHEMBL1877689

SCHEMBL1877689

c1ccc(-c2nn(-c3ccc(OCCCN4CCCC4)cc3)c3c2CCCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.62
PTGS1 P23219 5/20 0.62
HRH3 Q9Y5N1 12/20 0.58
KCNH2 Q12809 2/20 0.57
HRH1 P35367 1/20 0.57
HRH4 Q9H3N8 1/20 0.52
LTA4H P09960 1/20 0.50

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
SCHEMBL1875459 0.82 HRH3 (0.56) HRH3KCNH2HRH1HRH4
SCHEMBL1874477 0.80 HRH3 (0.56) HRH3KCNH2HRH1HRH4
SCHEMBL1872117 0.79 HRH3 (0.58) HRH3KCNH2HRH1HRH4
SCHEMBL4094594 0.75 HRH3 (1.00) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1873825 0.75 HRH3 (0.60) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1876213 0.75 HRH3 (0.60) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1873042 0.74 HRH3 (0.55) HRH3KCNH2HRH1HRH4
SCHEMBL491626 0.74 HRH3 (1.00) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL10266971 0.73 HRH3 (0.98) HRH3KCNH2
SCHEMBL10197004 0.72 HRH3 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988777-B1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2011-09-21 EP claimed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US claimed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 US claimed
EP-1988777-B1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2011-09-21 EP disclosed
US-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 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 (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-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 PTGS2 3139/4885PTGS1 3045/4885HRH3 986/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 PTGS2 2943/4885PTGS1 2539/4885HRH3 1/4885

“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.