SCHEMBL2162371

SCHEMBL2162371

[N-]=[N+]=C(C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
CNR2 P34972 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP4 P15090 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL16401924 0.77 TSHR (0.42) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL29875176 0.76 LMNA (0.58) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL7384041 0.76 LMNA (0.58) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL30449216 0.75 LMNA (0.62) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL221518 0.75 LMNA (0.62) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL991197 0.74 ERCC5 (0.50) GAACTNNB1WNT3AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2533965 0.74 LMNA (0.60) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL9461001 0.74 LMNA (0.60) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL29208535 0.74 LMNA (0.60) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL27794599 0.74 LMNA (0.60) LMNAGAACTNNB1WNT3AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007724-B1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2012-05-02 EP disclosed
US-7985758-B2 Piperidine derivatives for treatment of Alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2011-07-26 US disclosed
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2009-07-23 US disclosed
EP-2007724-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2008-12-31 EP disclosed
WO-2007116228-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-10-18 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-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, PSEN2 LMNA 1663/4885GAA 28/4885CTNNB1 2456/4885

“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.