SCHEMBL1761694

SCHEMBL1761694

O=C(NC1C2CC3CC1CN(C3)C2)c1cc(Cl)cn2ccnc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.62
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
HSD11B1 P28845 6/20 0.43
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL7362682 0.77 HTR3A (1.00) HTR3AALDH1A1
Hydrochloric Acid SCHEMBL7363031 0.76 HTR3A (0.98) HTR3AALDH1A1
SCHEMBL7360573 0.76 HTR3A (0.77) HTR3AALDH1A1
SCHEMBL7386037 0.75 HTR3A (0.59) HTR3ACNR2
SCHEMBL1761622 0.73 ADRA2A (0.57) HTR3AADRA2AADRA2BADRA2CHTR2A
SCHEMBL7360723 0.72 HTR3A (0.58) HTR3A
SCHEMBL1761420 0.72 ADRA2A (0.53) HTR3AADRA2AADRA2BADRA2CHTR2A
SCHEMBL7367774 0.71 HTR3A (0.56) HTR3A
SCHEMBL4703891 0.70 HTR3A (0.53) HTR3AALDH1A1LMNAHPGD
SCHEMBL1761719 0.70 CHRNA7 (0.58) HTR3AADRA2AADRA2BADRA2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US claimed
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP claimed
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP claimed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO claimed
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-7897766-B2 [3H]-(S,S)-2,2-dimethyl-5-(6-phenyl-pyridazin-3-yl)-5-aza-2-azonia-bicyclo[2.2.1]heptane, iodide; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, mild cognitive impairment, age-associated memory impairment ABBOTT LABORATORIES (US) 2011-03-01 US disclosed
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP disclosed
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP disclosed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO 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 (1 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-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 HTR3A 173/4885ADRA2A 61/4885ADRA2B 79/4885

“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.