SCHEMBL2180358

SCHEMBL2180358

COc1ccc(CN2CC(=O)N2C2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.43
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
BLM P54132 1/20 0.39
GAA P10253 2/20 0.39
GRM2 Q14416 1/20 0.38
APAF1 O14727 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2168354 0.85 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL2168867 0.84 CXCR3 (0.42) MEN1KMT2AALDH1A1GRM2KDM4E
SCHEMBL2170837 0.82 HSD11B1 (0.46) CMA1GSK3AGSK3BALDH1A1CYP2C19
SCHEMBL2170272 0.80 KDM4E (0.38) ALDH1A1SIGMAR1KDM4E
SCHEMBL12473776 0.75 CYP3A4 (0.40) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL2174029 0.73 MMP2 (0.51) CMA1ALDH1A1MAPTCYP2D6CYP2C19
SCHEMBL17360667 0.68 CMA1 (0.59) CMA1GSK3AGSK3BMEN1KMT2A
SCHEMBL2170840 0.66 TDP1 (0.37) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL2169210 0.65 CMA1 (0.47) CMA1MEN1KMT2AALDH1A1MAPT
SCHEMBL41389 0.65 CMA1 (0.70) CMA1GSK3AGSK3BMEN1KMT2A

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 CMA1 1278/4885GSK3A 1755/4885GSK3B 1678/4885

“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.