SCHEMBL25675768

SCHEMBL25675768

CC[C@@H]1c2ccccc2CC[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
HTR1A P08908 4/20 0.43
DRD2 P14416 1/20 0.43
SLC18A3 Q16572 1/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
HTR6 P50406 2/20 0.41
BCHE P06276 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ACHE P22303 1/20 0.41
ADRA1A P35348 1/20 0.41
IDO1 P14902 1/20 0.41
PRCP P42785 1/20 0.41

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
SCHEMBL10866922 0.82 HTR2A (0.52) PDPK1HTR1ASLC18A3MAOAMAOB
SCHEMBL464668 0.81 SIGMAR1 (0.39)
SCHEMBL22768719 0.81 SIGMAR1 (0.39)
SCHEMBL13616986 0.81 SIGMAR1 (0.39)
SCHEMBL16770602 0.81 SIGMAR1 (0.39)
SCHEMBL16770603 0.81 SIGMAR1 (0.39)
SCHEMBL3830048 0.79 MTNR1A (0.43) PDPK1HTR1ADRD2MAOAMAOB
SCHEMBL3601105 0.79 IDO1 (0.44) PDPK1HTR1ADRD2MAOAMAOB
SCHEMBL9115029 0.77 HTR6 (0.54) PDPK1HTR1ADRD2MAOAMAOB
SCHEMBL19419825 0.76 DRD2 (0.50) PDPK1DRD2SLC18A3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 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-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 PDPK1 2064/4885HTR1A 3165/4885DRD2 4117/4885

“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.