SCHEMBL13699586

SCHEMBL13699586

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CN3C[C@H]4C[C@@H]3CN4)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.40
P2RX7 Q99572 1/20 0.38
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TLR7 Q9NYK1 3/20 0.33
MC4R P32245 1/20 0.32
CHRM3 P20309 1/20 0.32
CNR1 P21554 1/20 0.32
PARP1 P09874 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 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
SCHEMBL13699625 0.86 EIF4A3 (0.40) MDM2
SCHEMBL13699631 0.85 MDM2 (0.39) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699588 0.85 MDM2 (0.41) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699595 0.83 MDM2 (0.41) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699590 0.83 MDM2 (0.41) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699597 0.82 MDM2 (0.42) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699596 0.81 MDM2 (0.44) MDM2CYP3A4CYP3A5LMNAMAPK1
SCHEMBL13699581 0.81 MLNR (0.47) MDM2CYP3A4
SCHEMBL13699584 0.81 MLNR (0.47) MDM2CYP3A4
SCHEMBL13699615 0.81 MDM2 (0.39) 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 2 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

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 2997/4885P2RX7 586/4885CYP3A4 1990/4885

“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.