SCHEMBL4163672

SCHEMBL4163672

O=C(O)N[C@H]1CCN(c2cccc3ncccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.44
MTNR1B P49286 10/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43

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
SCHEMBL18979954 0.83 MAPT (0.41) DRD2DRD3OPRM1
SCHEMBL14515649 0.81 SMPD3 (0.50) MTNR1AMTNR1BOPRM1OPRK1OGFRL1
SCHEMBL17844913 0.81 KMT2A (0.47) DRD2DRD3OPRK1
SCHEMBL20293037 0.78 DYRK1A (0.59)
Hydrochloric Acid SCHEMBL30114327 0.77 PBK (0.47) OPRM1OPRK1
SCHEMBL3937807 0.77 MALT1 (0.58) OPRK1
SCHEMBL3937794 0.77 MALT1 (0.58) OPRK1
SCHEMBL23830989 0.76 KDM4E (0.55)
SCHEMBL18228083 0.76 KDM4E (0.55)
SCHEMBL17506213 0.76 MEN1 (0.43)

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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 MTNR1A 214/4885MTNR1B 191/4885DRD2 1830/4885

“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.