SCHEMBL13699595

SCHEMBL13699595

C[C@@H]1CNCCN1Cc1ccc([C@@H]2CN(C(=O)C(C)(C)C)CCN2c2ccc(Cl)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.41
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP3A5 P20815 2/20 0.35
HTR2C P28335 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PDK2 Q15119 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCR1 P32246 1/20 0.33
CNR1 P21554 1/20 0.33
AVPR1A P37288 2/20 0.32
MLNR O43193 2/20 0.32
DDR1 Q08345 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL13699590 1.00 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699615 0.90 MDM2 (0.39) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699597 0.89 MDM2 (0.42) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699588 0.89 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699600 0.87 MDM2 (0.39) MDM2CYP3A4DRD2DRD4
SCHEMBL13699596 0.87 MDM2 (0.44) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699589 0.84 MDM2 (0.41) MDM2LMNAMAPK1CYP3A4CYP3A5
SCHEMBL13699584 0.83 MLNR (0.47) MDM2CYP3A4MLNR
SCHEMBL13699581 0.83 MLNR (0.47) MDM2CYP3A4MLNR
SCHEMBL13699585 0.83 MLNR (0.46) MDM2LMNAMAPK1CYP3A4CYP3A5

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 2997/4885LMNA 1997/4885MAPK1 1202/4885

“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.