SCHEMBL21700372

SCHEMBL21700372

FC(F)(F)Oc1ccc([C]2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
GALR1 P47211 1/20 0.44
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 1/20 0.41
KIF11 P52732 1/20 0.41
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
DHODH Q02127 1/20 0.40
SCN5A Q14524 3/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38

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
SCHEMBL16878883 0.90 NISCH (0.49) NISCHGALR1KIF11EPHX2ALDH1A1
SCHEMBL14894193 0.81 NISCH (0.50) NISCHGALR1KIF11EPHX2TSHR
SCHEMBL12473625 0.81 WNT3A (0.46) NISCHGALR1KIF11EPHX2SCN5A
SCHEMBL12348393 0.76 NISCH (0.41) NISCHGALR1SLC6A4SLC6A3SLC6A2
SCHEMBL254957 0.75 MAPT (0.56) NISCHKIF11EPHX2ALDH1A1TSHR
SCHEMBL14893848 0.74 NISCH (0.44) NISCHGALR1SLC6A4SLC6A3SLC6A2
SCHEMBL512312 0.73 KCNH2 (0.44) NISCHGALR1SLC6A4SLC6A3SLC6A2
SCHEMBL5146537 0.72 KIF11 (0.48) NISCHGALR1SLC6A3KIF11ALDH1A1
SCHEMBL7703942 0.72 CA12 (0.50) SLC6A3ALDH1A1
SCHEMBL5144843 0.72 DRD1 (0.47) SLC6A4ALDH1A1TSHRSCN5AMAPT

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-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 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-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 NISCH 871/4885GALR1 1113/4885SLC6A4 5/4885

“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.