SCHEMBL2467357

SCHEMBL2467357

c1cc2c(C3CCOCC3)c[nH]c2cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
DYRK1A Q13627 8/20 0.44
GSK3B P49841 5/20 0.44
NFATC1 O95644 4/20 0.44
RPS6KA3 P51812 1/20 0.42
HTR2C P28335 2/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.41
PDPK1 O15530 1/20 0.39
TGFBR1 P36897 1/20 0.39
IKBKE Q14164 1/20 0.39
HTR2A P28223 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CDK2 P24941 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CCR2 P41597 1/20 0.38
IGF1R P08069 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
SCHEMBL12315639 0.84 HSD11B1 (0.48) HSD11B1DYRK1AGSK3BNFATC1HTR2C
SCHEMBL26912168 0.84 CYP2D6 (0.46) HSD11B1CYP2D6CDK2DYRK1BIGF1R
SCHEMBL13021101 0.83 HTR2C (0.62) HSD11B1DYRK1AGSK3BNFATC1RPS6KA3
SCHEMBL19972565 0.82 HSD11B1 (0.45) HSD11B1DYRK1AGSK3BNFATC1HTR2C
SCHEMBL28328563 0.78 SLC6A4 (0.45) HSD11B1DYRK1AGSK3BNFATC1HTR2C
SCHEMBL28328566 0.75 HSD11B1 (0.44) HSD11B1DYRK1AGSK3BNFATC1HTR2C
SCHEMBL2468384 0.75 HSD11B1 (0.60) HSD11B1CYP2D6CCR2SLC2A1
SCHEMBL14875461 0.74 CCR2 (0.47) HSD11B1DYRK1AGSK3BNFATC1PDPK1
SCHEMBL16801608 0.74 KDM4E (0.69) HSD11B1CYP2D6CDK2DYRK1BCCR2
SCHEMBL18324778 0.74 CTSS (0.49) HSD11B1CCR2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 EP disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 EP disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 WO 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-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA HSD11B1 835/4885DYRK1A 4354/4885GSK3B 2563/4885

“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.