SCHEMBL12284201

SCHEMBL12284201

CC(=O)N1CCN(CC(=O)Nc2cc(-c3cc(F)cc(F)c3)ccn2)C[C@H]1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 6/20 0.44
MAPK10 P53779 4/20 0.42
MAPK8 P45983 3/20 0.42
MAPK14 Q16539 3/20 0.42
GSK3B P49841 6/20 0.41
DYRK1A Q13627 6/20 0.41
OGA O60502 1/20 0.41
WNT1 P04628 3/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL2320233 0.88 NPY5R (0.47) WNT3AGSK3BDYRK1AOGA
SCHEMBL2322128 0.88 NPY5R (0.47) WNT3AGSK3BDYRK1AOGA
SCHEMBL2415738 0.88 NPY5R (0.47) WNT3AGSK3BDYRK1AOGA
SCHEMBL2418162 0.84 POLB (0.45) WNT3AOGA
SCHEMBL2418168 0.84 POLB (0.45) WNT3AOGA
SCHEMBL2320294 0.83 WNT3A (0.49) WNT3AMAPK10MAPK8MAPK14GSK3B
SCHEMBL2320536 0.80 MAPK14 (0.45) WNT3AMAPK10MAPK8MAPK14GSK3B
SCHEMBL2320539 0.80 MAPK14 (0.45) WNT3AMAPK10MAPK8MAPK14GSK3B
SCHEMBL2317358 0.77 NPY5R (0.49) MAPK14GSK3BDYRK1AWNT1
SCHEMBL2418895 0.75 POLB (0.64) WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R WNT3A 4719/4885MAPK10 3482/4885MAPK8 3499/4885

“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.