SCHEMBL1876164

SCHEMBL1876164

Cc1ccn(-c2ccc(OCCCN3CCOCC3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.61
SIGMAR1 Q99720 5/20 0.61
MAPK1 P28482 2/20 0.61
CYP1A2 P05177 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
HTR2A P28223 1/20 0.61
SCN1A P35498 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
SCN2A Q99250 1/20 0.61
SCN3A Q9NY46 1/20 0.61
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 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
SCHEMBL1880183 0.89 HRH3 (0.61) HRH3SIGMAR1KCNH2HRH1
SCHEMBL1875739 0.88 HRH3 (0.63) HRH3SIGMAR1KCNH2HRH1
SCHEMBL599185 0.81 HRH3 (0.54) HRH3SIGMAR1CYP1A2ALDH1A1KCNH2
SCHEMBL171264 0.79 HRH3 (0.79) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
Pramoxine SCHEMBL26020 0.77 ALDH1A1 (1.00) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
SCHEMBL23804879 0.76 HRH3 (0.79) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
Pramoxine SCHEMBL180542 0.76 LMNA (1.00) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
SCHEMBL23804878 0.76 HRH3 (0.91) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
Pramoxine SCHEMBL4435138 0.74 ALDH1A1 (0.94) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1
SCHEMBL12835047 0.74 ALDH1A1 (0.72) HRH3SIGMAR1MAPK1CYP1A2ALDH1A1

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 986/4885SIGMAR1 690/4885MAPK1 2731/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 HRH3 1/4885SIGMAR1 123/4885MAPK1 2728/4885

“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.