SCHEMBL13975853

SCHEMBL13975853

CCCCN(C)Cc1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.58
SLC6A4 P31645 13/20 0.58
ACHE P22303 1/20 0.48
CHRM2 P08172 1/20 0.43
POLQ O75417 1/20 0.42
IDO1 P14902 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL18137967 0.90 SLC6A2 (0.56) SLC6A2SLC6A4ACHEPOLQIDO1
SCHEMBL11473731 0.83 CARM1 (0.53) SLC6A2SLC6A4ACHEPOLQIDO1
SCHEMBL12124971 0.83 SLC6A2 (0.54) SLC6A2SLC6A4ACHEPOLQIDO1
SCHEMBL13965863 0.81 SLC6A2 (0.50) SLC6A2SLC6A4ACHEPOLQIDO1
SCHEMBL12831776 0.77 SLC6A4 (0.50) SLC6A2SLC6A4ACHEPOLQIDO1
SCHEMBL7132154 0.77 CHRM2 (0.56) ACHECHRM2KMT2A
SCHEMBL13975072 0.76 CHRM2 (0.47) ACHECHRM2KMT2A
SCHEMBL8723410 0.75 CHRM2 (0.59) ACHECHRM2KMT2A
SCHEMBL8723370 0.75 CHRM2 (0.59) ACHECHRM2KMT2A
SCHEMBL8720809 0.75 CHRM2 (0.59) ACHECHRM2KMT2A

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-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SLC6A2 2087/4885SLC6A4 1439/4885ACHE 3955/4885

“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.