SCHEMBL2168784

SCHEMBL2168784

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C/C=C/c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.35
ALDH3A1 P30838 1/20 0.34
RCE1 Q9Y256 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL2170092 0.79 HSD11B1 (0.34) ALDH1A1HPGDHSD11B1KDM4E
SCHEMBL2170084 0.79 HSD11B1 (0.34) ALDH1A1HPGDHSD11B1KDM4E
SCHEMBL2169652 0.79 HSD11B1 (0.43) ALDH1A1HSD11B1
SCHEMBL2170063 0.77 HSD11B1 (0.41) HSD17B10ALDH1A1MAPTHSD11B1HTT
SCHEMBL2168746 0.75 HSD11B1 (0.40) HSD11B1
SCHEMBL2169612 0.74 HSD11B1 (0.34) MAPTHSD11B1
SCHEMBL2170813 0.73 PTGS1 (0.38) POLBALDH1A1MAPTHSD11B1HTT
SCHEMBL2169766 0.73 GRM2 (0.35) HSD11B1
SCHEMBL13368773 0.73 FAAH (0.35) ALDH1A1HSD11B1
SCHEMBL2169125 0.72 HSD11B1 (0.33) HSD11B1

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 5 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
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

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 POLB 3701/4885HSD17B10 14/4885ALDH1A1 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.