SCHEMBL20101964

SCHEMBL20101964

C=CCOC(=O)N1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
GPR119 Q8TDV5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ERN1 O75460 6/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A15 Q9H2J7 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TGM2 P21980 2/20 0.32
F13A1 P00488 1/20 0.32
TGM1 P22735 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL30854400 0.90 LMNA (0.40) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL4195614 0.80 LMNA (0.46) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL5570874 0.79 LMNA (0.39) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL9381596 0.79 LMNA (0.39) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL3997516 0.78 LMNA (0.45) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL3992214 0.78 LMNA (0.45) LMNAMAPK1RAB9AGPR119L3MBTL1
SCHEMBL5986980 0.78 TSHR (0.53) LMNAL3MBTL1TSHRTDP1ALDH1A1
SCHEMBL30736650 0.78 CYP1A2 (0.43) LMNAMAPK1RAB9ACYP2D6CYP1A2
SCHEMBL3632291 0.77 CYP1A2 (0.36) MAPK1CYP2D6CYP3A4TGM2F13A1
SCHEMBL35210830 0.77 L3MBTL1 (0.36) L3MBTL1CYP2D6TSHRDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2023-09-14 US disclosed
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2018-05-03 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-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 LMNA 1318/4885MAPK1 2575/4885RAB9A 3440/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 LMNA 1318/4885MAPK1 2575/4885RAB9A 3440/4885

“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.