SCHEMBL1761699

SCHEMBL1761699

O=C(NC1C2CC3CC1CN(C3)C2)c1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
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
HPGD P15428 4/20 0.44

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 SCHEMBL1761629 0.99 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL12586231 0.81 HSD11B1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL12586230 0.81 HSD11B1 (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1761667 0.79 DRD4 (0.49) HDAC8ADRA2AADRA2BADRA2CHTR2A
SCHEMBL1761711 0.76 KMT2A (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1761646 0.76 PLG (0.45) HDAC1HDAC6ALDH1A1ADRA2AADRA2B
SCHEMBL1761417 0.75 CHRNA7 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1761638 0.74 TSHR (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1761896 0.74 ADRA2A (0.62) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL1761542 0.74 CHRNA7 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7

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 HDAC1 1573/4885HDAC6 2875/4885HDAC3 2068/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 HDAC1 1573/4885HDAC6 2875/4885HDAC3 2068/4885

“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.