SCHEMBL9894347

SCHEMBL9894347

CCOC(=O)c1nc(C2CCCCC2)n(-c2cccc(Cl)c2F)c1-c1cc(Cl)ccc1C=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.53
MDM4 O15151 3/20 0.41
TP53 P04637 1/20 0.41
OGFRL1 Q5TC84 4/20 0.37
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRD1 P41143 2/20 0.37
HPGD P15428 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
SCHEMBL9894458 0.89 MDM2 (0.54) MDM2MDM4TP53HPGD
SCHEMBL1437213 0.87 MDM2 (0.52) MDM2MDM4TP53
SCHEMBL9893694 0.85 MDM2 (0.59) MDM2MDM4TP53OGFRL1OPRM1
SCHEMBL9894417 0.84 MDM2 (0.56) MDM2
SCHEMBL1437081 0.84 MDM2 (0.49) MDM2MDM4TP53
SCHEMBL9893743 0.83 MDM2 (0.76) MDM2MDM4TP53OGFRL1OPRM1
SCHEMBL9893701 0.80 MDM2 (0.53) MDM2MDM4TP53OGFRL1OPRM1
SCHEMBL9893940 0.79 MDM2 (0.67) MDM2MDM4HPGD
SCHEMBL1436827 0.76 MDM2 (0.65) MDM2MDM4
SCHEMBL1437051 0.75 MDM2 (0.56) MDM2OGFRL1OPRM1OPRK1OPRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MDM2 2/4885MDM4 1/4885TP53 3/4885

“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.