SCHEMBL6508810

SCHEMBL6508810

CC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.73
SLC6A5 Q9Y345 12/20 0.73
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL3917370 0.84 SLC6A9 (1.00) SLC6A9SLC6A5SMN1; SMN2
SCHEMBL3929509 0.82 SLC6A5 (0.86) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL4428759 0.81 MAPT (0.66) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL6505622 0.81 SLC6A9 (0.63) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL3925116 0.79 SLC6A5 (0.79) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL3927647 0.78 SLC6A5 (0.78) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL3928898 0.78 SLC6A5 (0.78) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL3931232 0.78 SLC6A5 (1.00) SLC6A9SLC6A5ALDH1A1MAPTNPC1
Ammonia Solution, Strong SCHEMBL3929225 0.78 SLC6A5 (0.78) SLC6A9SLC6A5ALDH1A1MAPTNPC1
SCHEMBL6955366 0.78 ALDH1A1 (0.71) SLC6A9SLC6A5ALDH1A1MAPTNPC1

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-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 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-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885ALDH1A1 582/4885

“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.