SCHEMBL13699613

SCHEMBL13699613

C[C@@H]1CN[C@@H](C)CN1Cc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
XIAP P98170 12/20 0.37
BIRC2 Q13490 11/20 0.37
CNR1 P21554 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.33
UGCG Q16739 2/20 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
SCHEMBL13699588 0.93 MDM2 (0.41) MDM2XIAPBIRC2DRD2DRD4
SCHEMBL13699603 0.88 MDM2 (0.39) MDM2DRD2DRD4CYP3A4
SCHEMBL13699611 0.87 MLNR (0.36) MDM2XIAPBIRC2CYP3A4
SCHEMBL13699614 0.85 MDM2 (0.43) MDM2CNR1DRD2LMNAMAPK1
SCHEMBL13699618 0.81 MDM2 (0.40) MDM2CNR1DRD2DRD4LMNA
SCHEMBL13699617 0.81 MDM2 (0.40) MDM2CNR1DRD2DRD4LMNA
SCHEMBL13699595 0.81 MDM2 (0.41) MDM2CNR1DRD2DRD4LMNA
SCHEMBL13699590 0.81 MDM2 (0.41) MDM2CNR1DRD2DRD4LMNA
SCHEMBL4168260 0.79 MDM2 (0.48) MDM2CNR1LMNAMAPK1
SCHEMBL4168266 0.79 MDM2 (0.48) MDM2CNR1LMNAMAPK1

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 MDM2 2997/4885XIAP 4825/4885BIRC2 4285/4885

“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.