SCHEMBL6489756

SCHEMBL6489756

O[C@H](C(F)F)[C@@H]1CCNC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.32
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 6/20 0.32
CPN1 P15169 2/20 0.31
CPB2 Q96IY4 2/20 0.31
CYP2D6 P10635 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
SCHEMBL16144637 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL19045386 0.86 CPN1 (0.36) CPN1CPB2
Hydrochloric Acid SCHEMBL19030022 0.84 CPN1 (0.35) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL13326697 0.81
SCHEMBL28364127 0.77 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL5760440 0.77 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL29272164 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL20730995 0.75
SCHEMBL20898998 0.75
SCHEMBL20898999 0.75

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-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SLC6A2 2565/4885SLC6A4 3457/4885SLC6A3 2888/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SLC6A2 2565/4885SLC6A4 3457/4885SLC6A3 2888/4885

“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.