SCHEMBL2168700

SCHEMBL2168700

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1cccc2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GSK3B P49841 1/20 0.32
CHRM1 P11229 1/20 0.32
IDO1 P14902 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13368858 0.86 MT-CO2 (0.33) MT-CO2HCRTR1HCRTR2MGAMAMY1A
SCHEMBL12473374 0.79 MT-CO2 (0.34) MT-CO2HCRTR1HCRTR2MGAMAMY1A
SCHEMBL3235811 0.79 HCRTR1 (0.38) HCRTR1HCRTR2CNR2USP2
SCHEMBL2168761 0.79 HCRTR1 (0.37) HCRTR1HCRTR2GAAPOLBALDH1A1
SCHEMBL2172271 0.79 KDM4E (0.39) GAAKDM4EALDH1A1LMNAHPGD
SCHEMBL2169693 0.79 ITGB1 (0.42) POLBALDH1A1HPGDUSP2
SCHEMBL2171730 0.79 L3MBTL1 (0.49) GAAPOLBMAPK1KDM4EALDH1A1
SCHEMBL2170172 0.78 HPGD (0.41) HCRTR1HCRTR2ALDH1A1HPGDUSP2
SCHEMBL2170041 0.78 KMT2A (0.40) HCRTR1HCRTR2POLBALDH1A1LMNA
SCHEMBL2170918 0.78 DRD2 (0.33) GSK3BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 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 (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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 MT-CO2 2352/4885HCRTR1 1687/4885HCRTR2 1345/4885

“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.