SCHEMBL7870376

SCHEMBL7870376

COC(=O)[C@@H]1CC=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 2/20 0.43
PREP P48147 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.36
PDE4B Q07343 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL610128 0.84 HSD17B10 (0.42) NR1H2NR1H3PREPLMNANPSR1
SCHEMBL16824590 0.84 HSD17B10 (0.42) NR1H2NR1H3PREPLMNANPSR1
SCHEMBL16824591 0.84 HSD17B10 (0.42) NR1H2NR1H3PREPLMNANPSR1
SCHEMBL31399260 0.80 SMN1; SMN2 (0.40) PTPN1PREPLMNANPSR1CYP1A2
SCHEMBL10139495 0.80 CYP19A1 (0.36) NR1H2NR1H3PTPN1PREPLMNA
SCHEMBL30477339 0.78 PREP (0.41) NR1H2PREPLMNANPSR1HSD17B10
SCHEMBL26765821 0.78 PREP (0.41) NR1H2PREPLMNANPSR1HSD17B10
SCHEMBL2798703 0.77 NR1H2 (0.48) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL3786077 0.77 NR1H2 (0.48) NR1H2NR1H3PTPN1CYP1A2POLB
SCHEMBL2278207 0.77 NR1H2 (0.48) NR1H2NR1H3PTPN1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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 (2 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NR1H2 1197/4885NR1H3 1089/4885PTPN1 3405/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R NR1H2 66/4885NR1H3 70/4885PTPN1 2506/4885

“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.