SCHEMBL2168681

SCHEMBL2168681

Cc1cccc(N2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.35
CNR2 P34972 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB1 P08588 1/20 0.33
LMNA P02545 3/20 0.32
RECQL P46063 1/20 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
SCHEMBL2168805 0.90 EPHX2 (0.38) MEN1KMT2AMAPTCNR2OPRM1
SCHEMBL2169773 0.82 EPHX2 (0.38) NPSR1MAPTALDH1A1CNR2TSHR
SCHEMBL2168468 0.81 RECQL (0.36) EPHX2ADRB1RECQL
SCHEMBL2169491 0.81 ELANE (0.40) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL2169537 0.81 EPHX2 (0.43) NPSR1MEN1KMT2AALDH1A1EPHX2
SCHEMBL2169223 0.81 EPHX2 (0.37) MAPTALDH1A1CNR2OPRM1EPHX2
SCHEMBL2176939 0.80 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13368871 0.79 EPHX2 (0.36) CNR2EPHX2
SCHEMBL2170918 0.77 DRD2 (0.33) EPHX2L3MBTL1
SCHEMBL2169450 0.77 CACNA1B (0.39) MAPTALDH1A1L3MBTL1

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 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
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

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 NPSR1 1036/4885MEN1 490/4885KMT2A 3619/4885

“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.