SCHEMBL30850071

SCHEMBL30850071

CCC1(CC)CCC(C)(c2ccc(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.36
SLC6A3 Q01959 9/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
SLC6A2 P23975 2/20 0.32
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL30096902 0.83 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL30096893 0.79 SLC6A3 (0.40) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL30096856 0.69 KDM1A (0.46) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL27219444 0.68 SLC6A4 (0.34) SLC6A4SLC6A3KDM1ARCOR1SLC6A2
SCHEMBL30096845 0.68 GRIN1 (0.33) SLC6A3KDM1ASLC6A2
SCHEMBL30096836 0.65 MGAT2 (0.36) SLC6A4
SCHEMBL27219436 0.64 PDE2A (0.35) SLC6A4SLC6A3SLC6A2
SCHEMBL30850067 0.62 SLC6A4 (0.31) SLC6A4SLC6A3SLC6A2
SCHEMBL24871286 0.61 ACHE (0.44)
SCHEMBL25620596 0.60 TSHR (0.41) SLC6A4

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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-16 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-20240156994-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 SLC6A4 1505/4885SLC6A3 548/4885KDM1A 3289/4885

“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.