SCHEMBL1880973

SCHEMBL1880973

Cc1ccnn1-c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.61
HRH1 P35367 2/20 0.61
HRH4 Q9H3N8 1/20 0.61
KCNH2 Q12809 2/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK14 Q16539 1/20 0.52
ACHE P22303 1/20 0.51
RAD52 P43351 1/20 0.51

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
SCHEMBL1875525 0.81 HRH3 (0.60) HRH3HRH1HRH4KCNH2MEN1
SCHEMBL1873194 0.78 HRH3 (0.60) HRH3HRH1HRH4KCNH2MEN1
SCHEMBL1877069 0.77 HRH3 (0.56) HRH3HRH1HRH4KCNH2MAPK14
SCHEMBL2629440 0.77 HRH3 (0.72) HRH3HRH1HRH4KCNH2MEN1
SCHEMBL3581930 0.76 HRH3 (0.89) HRH3HRH1KCNH2ACHERAD52
SCHEMBL1876974 0.76 HRH3 (0.58) HRH3HRH1HRH4KCNH2MAPK14
SCHEMBL10200146 0.75 HRH3 (0.75) HRH3HRH1KCNH2MEN1KMT2A
SCHEMBL2827364 0.75 HRH3 (0.75) HRH3HRH1KCNH2MEN1KMT2A
SCHEMBL1874477 0.75 HRH3 (0.56) HRH3HRH1HRH4KCNH2MEN1
SCHEMBL1875459 0.75 HRH3 (0.56) HRH3HRH1HRH4KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 986/4885HRH1 1390/4885HRH4 647/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885HRH4 2/4885

“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.