SCHEMBL2170023

SCHEMBL2170023

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
KDM1A O60341 1/20 0.40
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CA2 P00918 1/20 0.37
GSK3B P49841 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2169612 0.84 HSD11B1 (0.34) MEN1KMT2ATSHR
SCHEMBL2170813 0.83 PTGS1 (0.38) ACHECA12CA9ALDH1A1MEN1
SCHEMBL2168703 0.82 P2RX7 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL2168978 0.82 EPHX2 (0.40) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL2170857 0.82 MEN1 (0.40) ACHECA12CA9ALDH1A1KDM4E
SCHEMBL2169125 0.82 HSD11B1 (0.33) KDM1A
SCHEMBL2168659 0.82 P2RX7 (0.34) KDM1ACA12ALDH1A1L3MBTL1KDM4E
SCHEMBL2169946 0.81 GFER (0.41) ACHEALDH1A1KDM4EPOLB
SCHEMBL2170753 0.81 ACHE (0.40) ACHECA12ALDH1A1TSHR
SCHEMBL2169964 0.81 USP2 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB

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-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

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 ACHE 2157/4885KDM1A 2441/4885CA12 3721/4885

“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.