SCHEMBL13699559

SCHEMBL13699559

Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)C)C[C@H]1c1ccc(-c2cccnc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
F10 P00742 1/20 0.38
MDM2 Q00987 3/20 0.38
SMO Q99835 1/20 0.37
MEN1 O00255 1/20 0.36
IDE P14735 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
EIF4A3 P38919 3/20 0.36
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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 0.88 MDM2 (0.43) CNR1CNR2MDM2SMOMEN1
SCHEMBL13699568 0.80 MDM2 (0.43) CNR1CNR2MDM2MEN1IDE
SCHEMBL13699561 0.80 MDM2 (0.45) MDM2MEN1IDEKMT2ACYP3A4
SCHEMBL13699629 0.80 MDM2 (0.40) MDM2SMOMEN1IDEKMT2A
SCHEMBL4166201 0.78 MDM2 (0.47) MDM2MEN1IDEKMT2AEIF4A3
SCHEMBL4166206 0.78 MDM2 (0.47) MDM2MEN1IDEKMT2AEIF4A3
SCHEMBL4168355 0.77 MDM2 (0.43) MDM2MEN1IDEKMT2ACYP3A4
SCHEMBL4168350 0.77 MDM2 (0.43) MDM2MEN1IDEKMT2ACYP3A4
SCHEMBL13699627 0.77 REV1 (0.47) MDM2SMOMEN1IDEKMT2A
SCHEMBL13699562 0.77 MDM2 (0.44) MDM2MEN1IDEKMT2ACYP3A4

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 CNR1 2/4885CNR2 1/4885F10 4002/4885

“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.