SCHEMBL13699551

SCHEMBL13699551

CC(c1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2F)cc1)N1CCCNCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CYP3A5 P20815 4/20 0.39
MDM2 Q00987 3/20 0.39
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
F10 P00742 3/20 0.34
MC4R P32245 2/20 0.34
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
IDE P14735 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 2/20 0.31
CYP2C9 P11712 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
SCHEMBL4154815 1.00 CYP3A4 (0.39) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL13699630 0.97 CYP3A4 (0.41) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL13699636 0.88 MDM2 (0.38) MDM2F10MC4RHTR2CCHRM2
SCHEMBL4154817 0.85 F10 (0.34) CYP3A4CYP3A5LMNAMAPK1F10
SCHEMBL13699661 0.84 MDM2 (0.40) MDM2F10MC4RHTR2CCHRM2
SCHEMBL13699589 0.84 MDM2 (0.41) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL4162064 0.84 MDM2 (0.45) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL4162059 0.84 MDM2 (0.45) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL13699596 0.81 MDM2 (0.44) CYP3A4CYP3A5MDM2LMNAMAPK1
SCHEMBL4160959 0.81 CYP3A4 (0.37) CYP3A4CYP3A5MDM2F10MEN1

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
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.