SCHEMBL13699568

SCHEMBL13699568

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(-c3cccnc3N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.43
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
MEN1 O00255 1/20 0.38
IDE P14735 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MC2R Q01718 1/20 0.37

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
SCHEMBL13699560 0.92 MDM2 (0.43) MDM2PDE4BPDE4DMEN1IDE
SCHEMBL13699564 0.85 MDM2 (0.45) MDM2CYP3A4CYP3A5
SCHEMBL4178188 0.81 MDM2 (0.44) MDM2CYP3A4CYP3A5MEN1IDE
SCHEMBL4178184 0.81 MDM2 (0.44) MDM2CYP3A4CYP3A5MEN1IDE
SCHEMBL4167201 0.80 MDM2 (0.47) MDM2CYP3A4CYP3A5MEN1IDE
SCHEMBL4167196 0.80 MDM2 (0.47) MDM2CYP3A4CYP3A5MEN1IDE
SCHEMBL13699558 0.80 MDM2 (0.43) MDM2CYP3A4CYP3A5
SCHEMBL13699559 0.80 CNR1 (0.42) MDM2CYP3A4CYP3A5PDE4BPDE4D
SCHEMBL4158906 0.79 MDM2 (0.46) MDM2CYP3A4CYP3A5MEN1IDE
SCHEMBL4158912 0.79 MDM2 (0.46) MDM2CYP3A4CYP3A5MEN1IDE

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
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US 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 2997/4885CYP3A4 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.