SCHEMBL1761402

SCHEMBL1761402

O=C(NC1C2CC3CC1CN(C3)C2)c1ccc2sccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.54
HTR3A P46098 4/20 0.54
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
NAMPT P43490 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL1761512 0.99 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL1761415 0.81 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL1761438 0.81 HDAC3 (0.50)
Hydrochloric Acid SCHEMBL1761520 0.80 CHRNA7 (0.56) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL1761737 0.80 HDAC3 (0.49)
SCHEMBL1761562 0.79 ADRA2A (0.53) CHRNA7ADRA2AADRA2BADRA2CHTR2A
SCHEMBL6480392 0.78 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL6480387 0.78 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL1761695 0.78 ADRA2A (0.52) CHRNA7ADRA2AADRA2BADRA2CHTR2A
SCHEMBL1761577 0.78 HDAC3 (0.51) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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 CHRNA7 1/4885HTR3A 173/4885HTR3E 520/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 CHRNA7 1/4885HTR3A 173/4885HTR3E 520/4885

“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.