SCHEMBL4158906

SCHEMBL4158906

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)C(c2ccc(C=O)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.46
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 2/20 0.40
MEN1 O00255 1/20 0.37
IDE P14735 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDK2 Q15119 2/20 0.35
HTT P42858 1/20 0.35
MC4R P32245 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4158912 1.00 MDM2 (0.46) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4167196 0.88 MDM2 (0.47) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4167201 0.88 MDM2 (0.47) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4162059 0.85 MDM2 (0.45) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4162064 0.85 MDM2 (0.45) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699541 0.81 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699596 0.81 MDM2 (0.44) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4163929 0.81 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4158908 0.81 RIPK1 (0.39) LMNAMAPK1CYP3A4CYP3A5MEN1
SCHEMBL13699599 0.81 MDM2 (0.43) MDM2LMNAMAPK1CYP3A4CYP3A5

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
EP-1960391-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY Vernalis (R&D) Limited (GB) 2008-08-27 EP disclosed
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK MDM2 2997/4885LMNA 1997/4885MAPK1 1202/4885

“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.