SCHEMBL22508367

SCHEMBL22508367

CC(C)[C@H]1c2cccc(F)c2SCc2cccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR2A P28223 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL20101877 1.00 NOTUM (0.33) NOTUMCHRNB2CHRNA4HTR2ADRD2
SCHEMBL22415119 1.00 NOTUM (0.33) NOTUMCHRNB2CHRNA4HTR2ADRD2
SCHEMBL10444631 0.87 HTR2A (0.38) NOTUMHTR2ADRD2DRD3
SCHEMBL20101906 0.84 ALDH1A1 (0.41) CHRNB2CHRNA4HTR2ADRD2DRD3
SCHEMBL22508374 0.84 ALDH1A1 (0.41) CHRNB2CHRNA4HTR2ADRD2DRD3
SCHEMBL10444595 0.84 ALDH1A1 (0.41) CHRNB2CHRNA4HTR2ADRD2DRD3
SCHEMBL22508376 0.79 DRD2 (0.32) CHRNB2CHRNA4DRD2DRD3
SCHEMBL22508377 0.79 DRD2 (0.32) CHRNB2CHRNA4DRD2DRD3
SCHEMBL10444342 0.79 NOTUM (0.33) NOTUMHTR2A
SCHEMBL22508314 0.78 NOTUM (0.38) NOTUMCHRNB2CHRNA4DRD2

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-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. 2022-06-09 US disclosed
WO-2020205835-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2020205832-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 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-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS PDXK, PNPO, CDKN1A NOTUM 2882/4885CHRNB2 4550/4885CHRNA4 4026/4885

“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.