SCHEMBL4160959

SCHEMBL4160959

CCCCOC(=O)N1CCCN([C@H](C)c2ccc(C3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP3A5 P20815 4/20 0.37
MDM2 Q00987 5/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
MDM4 O15151 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
F10 P00742 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL4160962 0.88 MAPT (0.35) CYP3A4CYP3A5CHRM2CHRM1GPR119
SCHEMBL4163901 0.83 MGLL (0.39) MDM2GPR119KMT2AMEN1MAPT
SCHEMBL13699551 0.81 CYP3A4 (0.39) CYP3A4CYP3A5MDM2CHRM2CHRM1
SCHEMBL4154815 0.81 CYP3A4 (0.39) CYP3A4CYP3A5MDM2CHRM2CHRM1
SCHEMBL13699630 0.81 CYP3A4 (0.41) CYP3A4CYP3A5MDM2CHRM2CHRM1
SCHEMBL4162064 0.78 MDM2 (0.45) CYP3A4CYP3A5MDM2ALDH1A1KMT2A
SCHEMBL4162059 0.78 MDM2 (0.45) CYP3A4CYP3A5MDM2ALDH1A1KMT2A
SCHEMBL13699631 0.74 MDM2 (0.39) CYP3A4CYP3A5MDM2KMT2AMEN1
SCHEMBL4167201 0.74 MDM2 (0.47) CYP3A4CYP3A5MDM2ALDH1A1KMT2A
SCHEMBL4167196 0.74 MDM2 (0.47) CYP3A4CYP3A5MDM2ALDH1A1KMT2A

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 CYP3A4 1990/4885CYP3A5 1203/4885MDM2 2997/4885

“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.