SCHEMBL2170827

SCHEMBL2170827

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.35
RIPK1 Q13546 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
NTRK1 P04629 1/20 0.32
ECE1 P42892 1/20 0.32
XIAP P98170 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL2169686 0.91 CXCR3 (0.39) CXCR3ALDH1A1TAS2R8EPHX2
SCHEMBL2169632 0.89 DPP4 (0.35) CXCR3ALDH1A1CYP3A4DPP4PTGDR2
SCHEMBL2168608 0.86 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL2168978 0.86 EPHX2 (0.40) CXCR3RIPK1ALDH1A1CYP3A4EPHX2
SCHEMBL2170168 0.84 P2RX7 (0.41) SLC6A4NTRK1EPHX2
SCHEMBL2168961 0.83 CYP11B2 (0.37) ALDH1A1
SCHEMBL2169877 0.82 ALDH1A1 (0.36) CXCR3HTTALDH1A1DPP4DPP8
SCHEMBL2169436 0.81 EPHX2 (0.36) CXCR3TAS2R8PTGDR2NTRK1SIGMAR1
SCHEMBL2169951 0.81 CHRM2 (0.48) ALDH1A1SIGMAR1
SCHEMBL2168957 0.81 BACE1 (0.32)

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 11 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 claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US claimed
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 CXCR3 3206/4885RIPK1 3394/4885HTT 2903/4885

“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.