SCHEMBL1761845

SCHEMBL1761845

CCc1cc(C(=O)NC2C3CC4CC2CN(C4)C3)c2ccccn12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
HDAC1 Q13547 9/20 0.41
HDAC6 Q9UBN7 9/20 0.41
TP53 P04637 1/20 0.41
HSD11B1 P28845 3/20 0.40
EPHX2 P34913 1/20 0.37

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 SCHEMBL9684524 0.99 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL9684279 0.99 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL9531570 0.78 CHRNA7 (0.52)
SCHEMBL9531411 0.76 HTR3E (0.41) TP53
SCHEMBL7325697 0.75 TP53 (0.41) CNR2CNR1TP53
SCHEMBL9533778 0.74 HTR3A (0.57)
SCHEMBL1761435 0.73 USP2 (0.53) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761896 0.71 ADRA2A (0.62) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761711 0.70 KMT2A (0.54) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL1761667 0.70 DRD4 (0.49) 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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 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.