SCHEMBL13699594

SCHEMBL13699594

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)[C@H](c2ccc(CNC3CCCNC3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.41
MC4R P32245 6/20 0.36
MC3R P41968 2/20 0.34
MC5R P33032 1/20 0.34
CFD P00746 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
CCR2 P41597 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL13699598 0.95 MDM2 (0.42) MDM2MC4RCCR2CYP3A4CYP3A5
SCHEMBL13699593 0.95 MDM2 (0.42) MDM2MC4RCCR2CYP3A4CYP3A5
SCHEMBL13699592 0.91 MDM2 (0.43) MDM2CCR2CYP3A4CYP3A5LMNA
SCHEMBL13699589 0.82 MDM2 (0.41) MDM2MC4RCCR2CYP3A4CYP3A5
SCHEMBL13699553 0.81 MDM2 (0.42) MDM2MC4RCYP3A4CYP3A5LMNA
SCHEMBL13699596 0.81 MDM2 (0.44) MDM2MC4RDRD2CYP3A4CYP3A5
SCHEMBL13699590 0.81 MDM2 (0.41) MDM2DRD2CYP3A4CYP3A5LMNA
SCHEMBL13699595 0.81 MDM2 (0.41) MDM2DRD2CYP3A4CYP3A5LMNA
SCHEMBL13699597 0.80 MDM2 (0.42) MDM2DRD2CYP3A4CYP3A5LMNA
SCHEMBL13699615 0.79 MDM2 (0.39) MDM2MC4RCYP3A4CYP3A5LMNA

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 2997/4885MC4R 712/4885MC3R 116/4885

“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.