SCHEMBL4167196

SCHEMBL4167196

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)C(c2ccc(Br)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.47
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
MEN1 O00255 1/20 0.39
IDE P14735 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
GPR183 P32249 1/20 0.38
EIF4A3 P38919 2/20 0.37
PDK2 Q15119 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 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
SCHEMBL4167201 1.00 MDM2 (0.47) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4168266 0.91 MDM2 (0.48) MDM2LMNAMAPK1MEN1IDE
SCHEMBL4168260 0.91 MDM2 (0.48) MDM2LMNAMAPK1MEN1IDE
SCHEMBL4166206 0.90 MDM2 (0.47) MDM2LMNAMAPK1MEN1IDE
SCHEMBL4166201 0.90 MDM2 (0.47) MDM2LMNAMAPK1MEN1IDE
SCHEMBL4158912 0.88 MDM2 (0.46) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4158906 0.88 MDM2 (0.46) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4162059 0.87 MDM2 (0.45) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL4162064 0.87 MDM2 (0.45) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699634 0.84 MDM2 (0.46) MDM2ALDH1A1HPGDGPR183EIF4A3

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
EP-1960391-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY Vernalis (R&D) Limited (GB) 2008-08-27 EP 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 2997/4885LMNA 1997/4885MAPK1 1202/4885

“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.