SCHEMBL13699603

SCHEMBL13699603

C[C@@H]1CN[C@@H](C)CN1Cc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
ADAMTS5 Q9UNA0 5/20 0.36
MMP2 P08253 2/20 0.36
RIPK1 Q13546 1/20 0.36
MMP13 P45452 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP14 P50281 2/20 0.34
NOTUM Q6P988 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
SCHEMBL13699613 0.88 MDM2 (0.41) MDM2DRD2DRD4CYP3A4
SCHEMBL13699600 0.88 MDM2 (0.39) MDM2DRD2DRD4ADAMTS5MMP2
SCHEMBL13699588 0.87 MDM2 (0.41) MDM2DRD2DRD4CYP3A4
SCHEMBL13699578 0.85 MLNR (0.44) DRD2DRD4CYP3A4NOTUM
SCHEMBL13699611 0.83 MLNR (0.36) MDM2CYP3A4
SCHEMBL13699576 0.81 RIPK1 (0.39) MDM2DRD2DRD4ADAMTS5MMP2
SCHEMBL13699577 0.81 RIPK1 (0.39) MDM2DRD2DRD4ADAMTS5MMP2
SCHEMBL13699575 0.79 RIPK1 (0.41) MDM2DRD2DRD4ADAMTS5MMP2
SCHEMBL13699557 0.79 AKR1C3 (0.50) NOTUM
SCHEMBL13699605 0.78 CXCR4 (0.42) MDM2DRD2DRD4RIPK1CYP3A4

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 2997/4885DRD2 290/4885DRD4 1007/4885

“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.