SCHEMBL1874492

SCHEMBL1874492

FC(F)(F)c1cc(-c2ccccc2)n(-c2ccc(OCCCN3CCCC3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.57
HRH3 Q9Y5N1 9/20 0.56
KCNH2 Q12809 2/20 0.55
HRH1 P35367 1/20 0.55
PTGS2 P35354 4/20 0.52
HRH4 Q9H3N8 1/20 0.50
PDPK1 O15530 1/20 0.49
LTA4H P09960 1/20 0.48

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
SCHEMBL1870716 0.99 HRH3 (0.57) PTGS1HRH3KCNH2HRH1PTGS2
SCHEMBL1872837 0.91 PTGS1 (0.54) PTGS1HRH3KCNH2PTGS2PDPK1
SCHEMBL1884865 0.90 HRH3 (0.56) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1882421 0.84 HRH3 (0.52) PTGS1HRH3HRH1PTGS2
SCHEMBL1873980 0.84 HRH3 (0.56) PTGS1HRH3KCNH2HRH1PTGS2
SCHEMBL1878260 0.84 HTT (0.57) HRH3KCNH2HRH1HRH4LTA4H
SCHEMBL1874165 0.84 HRH3 (0.57) PTGS1HRH3KCNH2
SCHEMBL1874163 0.84 HRH3 (0.57) PTGS1HRH3KCNH2
SCHEMBL1878122 0.83 HRH3 (0.56) PTGS1HRH3KCNH2HRH1PTGS2
SCHEMBL1881346 0.83 PTGS2 (0.57) HRH3KCNH2PTGS2LTA4H

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 PTGS1 3045/4885HRH3 986/4885KCNH2 2244/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 PTGS1 2539/4885HRH3 1/4885KCNH2 1299/4885

“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.