SCHEMBL13699596

SCHEMBL13699596

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CN3CCNCC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.44
MLNR O43193 2/20 0.38
MC4R P32245 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
DDR1 Q08345 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
SLC2A1 P11166 1/20 0.37
AVPR1A P37288 1/20 0.36
F10 P00742 1/20 0.36
NPY2R P49146 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
KCNH2 Q12809 1/20 0.36
UTS2R Q9UKP6 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
SCHEMBL13699589 0.97 MDM2 (0.41) MDM2MLNRMC4RLMNAMAPK1
SCHEMBL13699581 0.91 MLNR (0.47) MDM2MLNRCYP3A4KCNH2
SCHEMBL13699584 0.91 MLNR (0.47) MDM2MLNRCYP3A4KCNH2
SCHEMBL13699612 0.89 MDM2 (0.42) MDM2MC4RLMNAMAPK1AVPR1A
SCHEMBL13699599 0.89 MDM2 (0.43) MDM2MC4RLMNAMAPK1CYP3A4
SCHEMBL13699585 0.89 MLNR (0.46) MDM2MLNRLMNAMAPK1CYP3A4
SCHEMBL13699553 0.88 MDM2 (0.42) MDM2MC4RLMNAMAPK1CYP3A4
SCHEMBL13699595 0.87 MDM2 (0.41) MDM2MLNRLMNAMAPK1DDR1
SCHEMBL13699590 0.87 MDM2 (0.41) MDM2MLNRLMNAMAPK1DDR1
SCHEMBL13699597 0.86 MDM2 (0.42) MDM2MLNRLMNAMAPK1CYP3A4

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 2997/4885MLNR 1674/4885MC4R 712/4885

“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.