SCHEMBL22330409

SCHEMBL22330409

CC(C)(C)c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
SCN4A P35499 1/20 0.44
CHRNA7 P36544 1/20 0.40
PPARA Q07869 1/20 0.40
DYRK1A Q13627 2/20 0.39
KIF11 P52732 1/20 0.39
CSNK1D P48730 2/20 0.38
PTPN5 P54829 1/20 0.35
BACE1 P56817 1/20 0.35
METAP2 P50579 1/20 0.35
MPL P40238 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ILK Q13418 1/20 0.33
ACP1 P24666 1/20 0.33

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
SCHEMBL34471256 0.88 EPHX2 (0.46) EPHX2SCN4ACHRNA7PPARADYRK1A
SCHEMBL25807784 0.87 EPHX2 (0.41) EPHX2SCN4ACHRNA7PPARADYRK1A
SCHEMBL1754103 0.87 DHPS (0.39) KIF11MEN1KMT2ACYP2D6
SCHEMBL34471458 0.86 EPHX2 (0.41) EPHX2SCN4ACHRNA7PPARADYRK1A
SCHEMBL14138084 0.79 NPC1 (0.38) MEN1KMT2A
SCHEMBL34471048 0.79 PDE2A (0.54) EPHX2SCN4ACHRNA7PPARADYRK1A
SCHEMBL10253781 0.78 GFER (0.38) CHRNA7DYRK1AMEN1KMT2A
SCHEMBL147805 0.78 EPHX2 (0.46) EPHX2SCN4ACHRNA7PPARADYRK1A
SCHEMBL17342289 0.76 HDAC3 (0.50) CHRNA7
SCHEMBL17400890 0.76 EPHX2 (0.47) EPHX2SCN4ACHRNA7PPARADYRK1A

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-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2020-08-13 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-20200255427-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 EPHX2 1075/4885SCN4A 1377/4885CHRNA7 3983/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 EPHX2 1075/4885SCN4A 1377/4885CHRNA7 3983/4885

“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.