SCHEMBL2168763

SCHEMBL2168763

CC(C)(C)c1ccc(CN2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.36
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
METAP2 P50579 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KCNH2 Q12809 1/20 0.32
TEAD1 P28347 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
SCHEMBL2169304 0.89 CYP3A4 (0.37) CYP3A4KDM4EALDH1A1HSD11B1L3MBTL1
SCHEMBL2168984 0.86 LMNA (0.36) KMT2AHSD11B1MEN1MAPT
SCHEMBL2170264 0.86 CXCR3 (0.40) CYP3A4ALDH1A1HSD11B1MAPTHTT
SCHEMBL2169468 0.85 ACHE (0.35) TDP1KDM4EALDH1A1HSD17B10HSD11B1
SCHEMBL2168961 0.85 CYP11B2 (0.37) POLBKMT2AALDH1A1HSD11B1MEN1
SCHEMBL2169652 0.85 HSD11B1 (0.43) OPRK1KMT2AALDH1A1HSD11B1MEN1
SCHEMBL12013028 0.83 HSD11B1 (0.30) HSD11B1
SCHEMBL2168734 0.82 SMN1; SMN2 (0.42) CYP3A4KMT2AKDM4EALDH1A1HSD11B1
SCHEMBL2169162 0.80 CYP2D6 (0.37) CYP3A4KMT2AKDM4EALDH1A1MEN1
SCHEMBL2169877 0.80 ALDH1A1 (0.36) POLBKMT2AKDM4EALDH1A1L3MBTL1

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 9 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
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 POLB 3701/4885CYP3A4 271/4885DRD2 231/4885

“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.