SCHEMBL3243038

SCHEMBL3243038

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCCc1cccc2ncc(OC)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.51
MTNR1A P48039 6/20 0.51
SRC P12931 2/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ABL2 P42684 1/20 0.42
PIK3CD O00329 4/20 0.41
PDE4B Q07343 2/20 0.41
ADAM17 P78536 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
TACR1 P25103 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL3248037 0.88 MTNR1B (0.50) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3249271 0.88 MTNR1B (0.49) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3246497 0.88 MTNR1B (0.49) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3246035 0.88 MTNR1B (0.49) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3252116 0.87 MTNR1B (0.48) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3249307 0.85 MTNR1B (0.47) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL3245355 0.85 KCNH2 (0.46)
SCHEMBL3245357 0.85 KCNH2 (0.46)
SCHEMBL3247341 0.83 MTNR1B (0.43) MTNR1BMTNR1ASRCABL1EGFR
SCHEMBL7726802 0.81 KCNH2 (0.47)

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 MTNR1B 2247/4885MTNR1A 2634/4885SRC 3810/4885

“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.