SCHEMBL13699628

SCHEMBL13699628

C[C@@H]1CN(C(=O)c2ccc([C@@H]3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3F)cc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
EIF4A3 P38919 7/20 0.39
XIAP P98170 2/20 0.36
BIRC2 Q13490 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
FASN P49327 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
SCHEMBL13699626 1.00 MDM2 (0.42) MDM2EIF4A3XIAPBIRC2TP53
SCHEMBL13699651 0.87 MDM2 (0.41) MDM2EIF4A3XIAPBIRC2TP53
SCHEMBL13699584 0.85 MLNR (0.47) MDM2XIAPBIRC2CYP3A4
SCHEMBL13699581 0.85 MLNR (0.47) MDM2XIAPBIRC2CYP3A4
SCHEMBL4163929 0.84 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699546 0.84 MDM2 (0.43) MDM2EIF4A3LMNAMAPK1
SCHEMBL13699625 0.82 EIF4A3 (0.40) MDM2EIF4A3
SCHEMBL4167201 0.81 MDM2 (0.47) MDM2EIF4A3LMNAMAPK1CYP3A4
SCHEMBL4167196 0.81 MDM2 (0.47) MDM2EIF4A3LMNAMAPK1CYP3A4
SCHEMBL13699596 0.81 MDM2 (0.44) 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
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 2997/4885EIF4A3 3668/4885XIAP 4825/4885

“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.