SCHEMBL2169388

SCHEMBL2169388

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 3/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
HTR6 P50406 2/20 0.33
HSD11B1 P28845 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
DRD2 P14416 1/20 0.31
S1PR4 O95977 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
SCHEMBL2170513 0.90 EPHX2 (0.38) EPHX2CNR2HTR7
SCHEMBL2169552 0.82 HSD11B1 (0.38) EPHX2ALDH1A1HSD11B1
SCHEMBL2169328 0.80 MEN1 (0.39) EPHX2ALDH1A1HSD11B1
SCHEMBL2169537 0.80 EPHX2 (0.43) EPHX2ALDH1A1HTR7HSD11B1
SCHEMBL2169335 0.79 EPHX2 (0.31) EPHX2
SCHEMBL2169487 0.78 PDCD1 (0.40) OPRM1ALDH1A1CNR2
SCHEMBL2169686 0.77 CXCR3 (0.39) EPHX2ALDH1A1
SCHEMBL2169955 0.76 CPS1 (0.36) EPHX2MAPK1
SCHEMBL2176939 0.76 KMT2A (0.44) ALDH1A1HTR7HSD11B1MAPK1DRD2
SCHEMBL2169773 0.75 EPHX2 (0.38) EPHX2ALDH1A1CNR2HTR7HSD11B1

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 8 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
WO-2010050191-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME 興和株式会社 (JP) 2010-05-06 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 EPHX2 2371/4885OPRM1 2788/4885ALDH1A1 157/4885

“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.