SCHEMBL2170813

SCHEMBL2170813

Cc1ccccc1CN1N(C2C3CC4CC(C3)CC2C4)C(=O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP2A13 Q16696 1/20 0.34
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL2168853 0.90 P2RX7 (0.35) KMT2AMEN1MAPTP2RX7HSD11B1
SCHEMBL2169612 0.89 HSD11B1 (0.34) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL2170857 0.86 MEN1 (0.40) KMT2AMEN1ACHEALDH1A1TSHR
SCHEMBL2169125 0.86 HSD11B1 (0.33) HSD11B1
SCHEMBL2168978 0.86 EPHX2 (0.40) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL2168703 0.86 P2RX7 (0.40) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2168659 0.86 P2RX7 (0.34) ALDH1A1TSHRP2RX7CYP2A13LMNA
SCHEMBL2168542 0.85 POLB (0.40) KMT2ASMN1; SMN2MAPTHTTTSHR
SCHEMBL2168555 0.85 KMT2A (0.42) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2169766 0.84 GRM2 (0.35) 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 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 PTGS1 235/4885PTGS2 781/4885KMT2A 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.