SCHEMBL3317049

SCHEMBL3317049

CC(=O)N1CCN(c2cc(F)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.79
ALDH1A1 P00352 5/20 0.79
GPR174 Q9BXC1 7/20 0.77
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2D6 P10635 1/20 0.54
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL3317301 0.90 MAPT (0.81) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL22621220 0.87 GPR174 (1.00) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL3315404 0.87 MAPT (0.72) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL22621283 0.84 GPR174 (1.00) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL31739514 0.84 MAPT (0.67) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL30258446 0.83 MAPT (0.63) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL521293 0.83 MAPT (0.63) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL9302533 0.83 GPR174 (0.67) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL29847854 0.82 MAPT (0.76) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL16513593 0.82 MAPT (0.76) MAPTALDH1A1GPR174SMN1; SMN2LMNA

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-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS MAPT 2130/4885ALDH1A1 649/4885GPR174 1108/4885

“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.