SCHEMBL1875855

SCHEMBL1875855

Cc1cc(CC(C)C)n(-c2ccc(OCCCN3CCCC3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.53
HRH1 P35367 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 3/20 0.50
HTR3A P46098 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1872669 0.99 HRH3 (0.55) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1880093 0.87 HRH3 (0.51) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1871690 0.86 HRH3 (0.55) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1875525 0.83 HRH3 (0.60) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL12333846 0.83 HRH3 (0.51) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1877465 0.81 HRH3 (0.49) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1876359 0.80 HRH3 (0.51) HRH3HRH1HRH4KCNH2HTR3A
SCHEMBL1882951 0.80 HRH3 (0.56) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL1883043 0.79 HRH3 (0.58) HRH3HRH1HRH4KCNH2HTR3A
SCHEMBL598706 0.76 SIGMAR1 (0.60) HRH3HRH1HRH4KCNH2MAPK14

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 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.