SCHEMBL1761646

SCHEMBL1761646

O=C(NC1C2CC3CC1CN(C3)C2)c1ccc2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.45
KLK1 P06870 2/20 0.45
KLK6 Q92876 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
LDHA P00338 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4A O75164 1/20 0.43
CTDSP1 Q9GZU7 1/20 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
SCHEMBL1761667 0.86 DRD4 (0.49) KMT2ALMNAADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1761737 0.79 HDAC3 (0.49) KMT2AHDAC1HDAC6
SCHEMBL1761438 0.78 HDAC3 (0.50) KMT2AHDAC1HDAC6
Hydrochloric Acid SCHEMBL1761629 0.77 HDAC1 (0.50) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL1761711 0.76 KMT2A (0.54) MEN1KMT2AADRA2AADRA2BADRA2C
SCHEMBL1761699 0.76 HDAC1 (0.51) MEN1KMT2AKDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL1761614 0.75 RAB9A (0.55) MAPTLMNAADRA2AADRA2BADRA2C
SCHEMBL1761896 0.74 ADRA2A (0.62) MEN1KMT2AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1761542 0.74 CHRNA7 (0.58) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761435 0.74 USP2 (0.53) KDM4EMAPTADRA2AADRA2BADRA2C

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 5 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-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

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-20110118301-A1 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 PLG 4766/4885KLK1 4144/4885KLK6 3676/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 PLG 4766/4885KLK1 4144/4885KLK6 3676/4885

“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.