SCHEMBL13699597

SCHEMBL13699597

C[C@@H]1CNC[C@H](C)N1Cc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.42
PDK2 Q15119 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
RIPK1 Q13546 1/20 0.35
CNR1 P21554 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.33
IDE P14735 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
MLNR O43193 1/20 0.33
GPR174 Q9BXC1 1/20 0.33

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
SCHEMBL13699614 0.92 MDM2 (0.43) MDM2PDK2LMNAMAPK1CYP3A4
SCHEMBL13699590 0.89 MDM2 (0.41) MDM2PDK2LMNAMAPK1CYP3A4
SCHEMBL13699595 0.89 MDM2 (0.41) MDM2PDK2LMNAMAPK1CYP3A4
SCHEMBL13699596 0.86 MDM2 (0.44) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699588 0.86 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699585 0.85 MLNR (0.46) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699584 0.84 MLNR (0.47) MDM2CYP3A4MLNR
SCHEMBL13699581 0.84 MLNR (0.47) MDM2CYP3A4MLNR
SCHEMBL13699589 0.83 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699553 0.83 MDM2 (0.42) 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 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 2997/4885PDK2 3419/4885LMNA 1997/4885

“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.