SCHEMBL13699570

SCHEMBL13699570

CC(C)(C)C(=O)N1CCN(c2ccc(F)cc2F)[C@H](c2ccc(-c3ccncc3N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.38
MDM2 Q00987 7/20 0.37
HDAC1 Q13547 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KIF11 P52732 1/20 0.35
GRM5 P41594 1/20 0.35
PDK2 Q15119 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPK14 Q16539 1/20 0.34
ATR Q13535 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NAMPT P43490 1/20 0.33
GHSR Q92847 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
SCHEMBL13699564 0.92 MDM2 (0.45) MDM2GRM5
SCHEMBL13699571 0.85 MDM2 (0.46) MDM2
SCHEMBL13699561 0.85 MDM2 (0.45) MDM2GRM5
SCHEMBL13699568 0.76 MDM2 (0.43) MDM2
SCHEMBL13699621 0.74 MDM2 (0.37) MDM2KIF11PDK2
SCHEMBL4178184 0.72 MDM2 (0.44) MDM2
SCHEMBL4178188 0.72 MDM2 (0.44) MDM2
SCHEMBL13699558 0.71 MDM2 (0.43) MDM2
SCHEMBL13699610 0.71 MLNR (0.47)
SCHEMBL4167196 0.70 MDM2 (0.47) MDM2PDK2

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 HDAC2 1517/4885MDM2 2997/4885HDAC1 1537/4885

“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.