SCHEMBL13699604

SCHEMBL13699604

CN(C)[C@@H]1CCN(Cc2ccc([C@@H]3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
DDR1 Q08345 5/20 0.39
SCN1A P35498 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
LTA4H P09960 1/20 0.38
GRM2 Q14416 1/20 0.38
WDR5 P61964 1/20 0.37
HDAC1 Q13547 1/20 0.37
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
MELK Q14680 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
PDK2 Q15119 2/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL13699609 1.00 MDM2 (0.41) MDM2DDR1SCN1ASCN8ALTA4H
SCHEMBL13699648 0.88 MDM2 (0.41) MDM2DDR1SCN1ASCN8ALTA4H
SCHEMBL13699606 0.87 LTA4H (0.41) MDM2DDR1SCN1ASCN8ALTA4H
SCHEMBL13699607 0.87 LTA4H (0.41) MDM2DDR1SCN1ASCN8ALTA4H
SCHEMBL13699596 0.84 MDM2 (0.44) MDM2DDR1KCNH2
SCHEMBL13699581 0.84 MLNR (0.47) MDM2KCNH2
SCHEMBL13699584 0.84 MLNR (0.47) MDM2KCNH2
SCHEMBL13699599 0.84 MDM2 (0.43) MDM2
SCHEMBL13699585 0.84 MLNR (0.46) MDM2
SCHEMBL4167196 0.82 MDM2 (0.47) MDM2PDK2

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 2997/4885DDR1 2738/4885SCN1A 24/4885

“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.