SCHEMBL13699589

SCHEMBL13699589

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CN3CCCNCC3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
CXCR4 P61073 9/20 0.40
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MLNR O43193 2/20 0.36
MC4R P32245 1/20 0.36
DDR1 Q08345 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL13699596 0.97 MDM2 (0.44) MDM2MLNRMC4RDDR1LMNA
SCHEMBL13699612 0.92 MDM2 (0.42) MDM2CXCR4MEN1CHRM2CHRM1
SCHEMBL13699581 0.87 MLNR (0.47) MDM2MLNRCYP3A4
SCHEMBL13699584 0.87 MLNR (0.47) MDM2MLNRCYP3A4
SCHEMBL13699605 0.87 CXCR4 (0.42) MDM2CXCR4MEN1CHRM2CHRM1
SCHEMBL13699585 0.85 MLNR (0.46) MDM2MLNRLMNAMAPK1CYP3A4
SCHEMBL13699599 0.85 MDM2 (0.43) MDM2MC4RLMNAMAPK1CYP3A4
SCHEMBL13699553 0.85 MDM2 (0.42) MDM2CHRM2CHRM1MC4RLMNA
SCHEMBL13699595 0.84 MDM2 (0.41) MDM2MLNRDDR1LMNAMAPK1
SCHEMBL13699590 0.84 MDM2 (0.41) MDM2MLNRDDR1LMNAMAPK1

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 2997/4885CXCR4 771/4885MEN1 1455/4885

“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.