SCHEMBL13699541

SCHEMBL13699541

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.42
CYP3A4 P08684 2/20 0.37
CYP3A5 P20815 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ROCK1 Q13464 1/20 0.35
MEN1 O00255 1/20 0.34
IDE P14735 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 1/20 0.34
MC4R P32245 1/20 0.33
PDK2 Q15119 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4167201 0.83 MDM2 (0.47) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4167196 0.83 MDM2 (0.47) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4158906 0.81 MDM2 (0.46) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4158912 0.81 MDM2 (0.46) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4162064 0.81 MDM2 (0.45) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4162059 0.81 MDM2 (0.45) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699599 0.78 MDM2 (0.43) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL4163929 0.77 MDM2 (0.42) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699596 0.77 MDM2 (0.44) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699585 0.76 MLNR (0.46) MDM2CYP3A4CYP3A5LMNAMAPK1

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK MDM2 2997/4885CYP3A4 1990/4885CYP3A5 1203/4885

“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.