SCHEMBL1761622

SCHEMBL1761622

O=C(NC1C2CC3CC1CN(C3)C2)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A12 P48065 1/20 0.47
P2RX7 Q99572 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CNR2 P34972 1/20 0.45
SLC6A9 P48067 2/20 0.45
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.43
HTR3A P46098 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL1761719 0.81 CHRNA7 (0.58) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL1761403 0.80 CHRNA7 (0.56) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761414 0.80 P2RX7 (0.55) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761660 0.80 GRM5 (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761420 0.79 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761562 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761531 0.77 CHRNA7 (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL1761695 0.77 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL1761888 0.76 CHRNA7 (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761736 0.74 MAPT (0.57) ADRA2AADRA2BADRA2CHTR2AHTR2C

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
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US claimed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US claimed
US-8586746-B2 Amino-aza-adamantane derivatives and methods of use ABBVIE INC. (US) 2013-11-19 US disclosed
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP disclosed
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
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 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 (3 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ADRA2A 61/4885ADRA2B 79/4885ADRA2C 32/4885
US-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ADRA2A 61/4885ADRA2B 79/4885ADRA2C 32/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ADRA2A 61/4885ADRA2B 79/4885ADRA2C 32/4885

“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.