SCHEMBL1761896

SCHEMBL1761896

COc1ccccc1C(=O)NC1C2CC3CC1CN(C3)C2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.50
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
HTR3A P46098 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 1/20 0.47
CTSD P07339 1/20 0.47

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
SCHEMBL1761435 0.87 USP2 (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761667 0.80 DRD4 (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761711 0.77 KMT2A (0.54) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761576 0.77 ADRA2A (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761414 0.76 P2RX7 (0.55) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761720 0.76 MEN1 (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761699 0.74 HDAC1 (0.51) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761646 0.74 PLG (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL2228215 0.73 CHRNA7 (0.64) HTR3A
SCHEMBL2228214 0.73 CHRNA7 (0.64) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476681-A2 Amino-aza-adamantane derivatives and methods of use Abbott Laboratories (US) 2012-07-18 EP claimed
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.