SCHEMBL9894059

SCHEMBL9894059

CCOC(=O)c1nc(C2CCCCC2)n(-c2cc(Cl)ccc2CC(=O)O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.40
PTGDR Q13258 3/20 0.38
PTGER2 P43116 1/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
MDM2 Q00987 1/20 0.37
CCR4 P51679 1/20 0.36
OGFRL1 Q5TC84 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
CASP3 P42574 1/20 0.36
TARBP2 Q15633 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL9893557 0.89 GABRA2 (0.40) GABRA2GABRB2MDM2OGFRL1OPRM1
SCHEMBL1437446 0.85 KDM4E (0.40) GABRA2GABRB2MDM2OGFRL1OPRM1
SCHEMBL1437109 0.84 MDM2 (0.57) PTGDR2GABRA2GABRB2MDM2
SCHEMBL1437265 0.82 MDM2 (0.42) MDM2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL9893997 0.81 GABRA2 (0.48) PTGDR2GABRA2GABRB2
SCHEMBL9893701 0.79 MDM2 (0.53) MDM2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL1437197 0.77 MDM2 (0.58) GABRA2GABRB2MDM2
SCHEMBL1437404 0.76 MDM2 (0.53) GABRA2GABRB2MDM2
SCHEMBL9893599 0.75 MDM2 (0.57) GABRA2GABRB2MDM2TARBP2
SCHEMBL9894410 0.75 BCL9 (0.40) MDM2CNR1CNR2

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 PTGDR2 4007/4885PTGDR 3031/4885PTGER2 4143/4885

“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.