SCHEMBL6629173

SCHEMBL6629173

CC(C)(C)OC(=O)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
NPSR1 Q6W5P4 2/20 0.65
GAA P10253 2/20 0.63
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 5/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2D6 P10635 2/20 0.55
HTT P42858 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX12 P18054 2/20 0.54
CCR6 P51684 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PHGDH O43175 3/20 0.52
TDP1 Q9NUW8 2/20 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
SCHEMBL30301712 1.00 MAPT (0.65) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL3730926 0.96 MAPT (0.61) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL30301697 0.96 MAPT (0.61) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL20495490 0.87 MAPT (0.56) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL107879 0.86 MAPT (0.53) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL30301745 0.85 LMNA (0.69) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL161334 0.85 LMNA (0.69) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL17305300 0.85 MAPT (0.60) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL6628461 0.83 MAPT (0.57) MAPTNPSR1GAAMAPK1L3MBTL1
SCHEMBL105883 0.82 MAPT (0.56) MAPTGAAMAPK1L3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022013555-A1 1-METHYL-1H-PYRAZOL-3-YL DERIVATIVES FOR USE IN THE TREATMENT OF NEOVASCULAR DISEASES EXONATE LIMITED (GB) 2022-01-20 WO disclosed
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO 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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP MAPT 72/4885NPSR1 2502/4885GAA 38/4885

“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.