SCHEMBL926016

SCHEMBL926016

O=C1c2ccccc2C(=O)N1C[C@H]1CCC[C@@H]1CN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.69
HTR2A P28223 5/20 0.69
HTR1A P08908 5/20 0.69
HTR7 P34969 4/20 0.69
ADRA2C P18825 2/20 0.69
HTR2B P41595 2/20 0.69
CHRM2 P08172 2/20 0.69
ADRA2A P08913 2/20 0.69
DRD1 P21728 2/20 0.69
TBXA2R P21731 2/20 0.69
SLC6A2 P23975 2/20 0.69
ADRA1A P35348 2/20 0.69
DRD3 P35462 2/20 0.69
SLC6A3 Q01959 2/20 0.69
KCNH2 Q12809 2/20 0.69
ABCB11 O95342 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
ADRA2B P18089 1/20 0.69
ACHE P22303 1/20 0.69
PDE4A P27815 1/20 0.69

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
SCHEMBL924982 0.98 DRD2 (0.72) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2540306 0.98 DRD2 (0.72) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL926496 0.92 DRD2 (0.67) DRD2HTR2AHTR1AHTR7ADRA2C
Hydrochloric Acid SCHEMBL9594211 0.90 DRD2 (0.64) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2544760 0.89 DRD2 (0.77) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2541941 0.88 DRD2 (0.70) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2547414 0.88 DRD2 (0.79) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2543027 0.85 DRD2 (0.75) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2545294 0.84 DRD2 (0.96) DRD2HTR2AHTR1AHTR7ADRA2C
SCHEMBL2547143 0.84 DRD2 (0.68) DRD2HTR2AHTR1AHTR7ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003994-A1 CYCLOALKANE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. 2011-01-06 US disclosed
US-20110003994-A1 CYCLOALKANE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. 2011-01-06 US disclosed
US-20110003994-A1 CYCLOALKANE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. 2011-01-06 US disclosed
WO-2011002103-A2 A CYCLOALKANE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-01-06 WO 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-20110003994-A1 CYCLOALKANE DERIVATIVE CNR2, CNR1, OPRK1 DRD2 20/4885HTR2A 6/4885HTR1A 19/4885

“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.