SCHEMBL13699576

SCHEMBL13699576

C[C@@H]1CN(c2ccc([C@@H]3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3)cc2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
MDM2 Q00987 9/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL13699577 1.00 RIPK1 (0.39) RIPK1MDM2DRD2DRD4ALDH1A1
SCHEMBL13699575 0.90 RIPK1 (0.41) RIPK1MDM2DRD2DRD4ALDH1A1
SCHEMBL13699578 0.87 MLNR (0.44) DRD2DRD4NOTUM
SCHEMBL13699554 0.83 AKR1C3 (0.49) RIPK1MDM2ALDH1A1LMNAMAPT
SCHEMBL4167779 0.83 RIPK1 (0.45) RIPK1DRD2DRD4ALDH1A1LMNA
SCHEMBL4167781 0.83 RIPK1 (0.45) RIPK1DRD2DRD4ALDH1A1LMNA
SCHEMBL4160826 0.82 RIPK1 (0.44) RIPK1MDM2DRD2DRD4MEN1
SCHEMBL4160818 0.82 RIPK1 (0.44) RIPK1MDM2DRD2DRD4MEN1
SCHEMBL13699556 0.82 AKR1C3 (0.51) RIPK1MDM2ALDH1A1LMNAMAPT
SCHEMBL13699603 0.81 MDM2 (0.39) RIPK1MDM2DRD2DRD4NOTUM

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 RIPK1 3742/4885MDM2 2997/4885DRD2 290/4885

“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.