SCHEMBL13699585

SCHEMBL13699585

C[C@@H]1CN(Cc2ccc([C@@H]3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3F)cc2)C[C@H](C)N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 16/20 0.46
CYP3A4 P08684 7/20 0.46
MDM2 Q00987 2/20 0.43
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A5 P20815 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
SCHEMBL13699584 0.91 MLNR (0.47) MLNRCYP3A4MDM2
SCHEMBL13699581 0.91 MLNR (0.47) MLNRCYP3A4MDM2
SCHEMBL13699596 0.89 MDM2 (0.44) MLNRCYP3A4MDM2LMNAMAPK1
SCHEMBL13699599 0.86 MDM2 (0.43) CYP3A4MDM2LMNAMAPK1CYP3A5
SCHEMBL13699589 0.85 MDM2 (0.41) MLNRCYP3A4MDM2LMNAMAPK1
SCHEMBL13699597 0.85 MDM2 (0.42) MLNRCYP3A4MDM2LMNAMAPK1
SCHEMBL13699588 0.85 MDM2 (0.41) MLNRCYP3A4MDM2LMNAMAPK1
SCHEMBL13699604 0.84 MDM2 (0.41) MDM2
SCHEMBL13699609 0.84 MDM2 (0.41) MDM2
SCHEMBL13699610 0.83 MLNR (0.47) MLNRCYP3A4

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 MLNR 1674/4885CYP3A4 1990/4885MDM2 2997/4885

“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.