SCHEMBL2170045

SCHEMBL2170045

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
P2RX7 Q99572 3/20 0.32
EPHX2 P34913 1/20 0.32
CYP2A13 Q16696 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 5/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HSD11B1 P28845 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARG Q86W56 1/20 0.31

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
SCHEMBL2169952 0.92 ALDH1A1 (0.41) TSHRPOLBP2RX7CYP2A13ALDH1A1
SCHEMBL2170529 0.87 ALDH1A1 (0.39) TSHRPOLBNPSR1P2RX7CYP2A13
SCHEMBL2168703 0.86 P2RX7 (0.40) TSHRPOLBNPSR1P2RX7ALDH1A1
SCHEMBL2169732 0.85 EPHX2 (0.38) TSHRPOLBEPHX2ALDH1A1LMNA
SCHEMBL2168880 0.85 P2RX7 (0.39) NPSR1P2RX7ALDH1A1SMN1; SMN2
SCHEMBL12474247 0.83 GRM2 (0.32) TSHRPOLBNPSR1P2RX7GRM2
SCHEMBL2169652 0.83 HSD11B1 (0.43) TSHRNPSR1EPHX2ALDH1A1HSD11B1
SCHEMBL2170264 0.82 CXCR3 (0.40) NPSR1P2RX7EPHX2GRM2ALDH1A1
SCHEMBL2170139 0.82 HSD11B1 (0.40) ALDH1A1HSD11B1
SCHEMBL2169540 0.80 CXCR3 (0.37) P2RX7EPHX2HSD11B1

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 TSHR 2126/4885POLB 3701/4885NPSR1 1036/4885

“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.