SCHEMBL2170645

SCHEMBL2170645

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
P2RX7 Q99572 1/20 0.38
USP2 O75604 1/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 4/20 0.35
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.33
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 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
SCHEMBL2169693 0.87 ITGB1 (0.42) P2RX7USP2ALDH1A1ELANEPOLB
SCHEMBL2172271 0.87 KDM4E (0.39) GAAUSP2L3MBTL1ALDH1A1LMNA
SCHEMBL2168643 0.86 USP2 (0.36) GAAUSP2ALDH1A1SIGMAR1HSD11B1
SCHEMBL2169957 0.86 EPHX2 (0.39) USP2HCRTR1HCRTR2ALDH1A1
SCHEMBL2170385 0.86 P2RX7 (0.39) GAAP2RX7USP2ELANE
SCHEMBL2170594 0.86 USP2 (0.36) GAAUSP2L3MBTL1ALDH1A1POLB
SCHEMBL2168761 0.85 HCRTR1 (0.37) GAAUSP2HCRTR1HCRTR2ALDH1A1
SCHEMBL2170032 0.84 HSD11B1 (0.33) GAAP2RX7ALDH1A1LMNASIGMAR1
SCHEMBL2169787 0.84 HCRTR1 (0.38) GAAP2RX7HCRTR1HCRTR2SIGMAR1
SCHEMBL2169849 0.84 FAAH (0.44) P2RX7HCRTR1HCRTR2ALDH1A1LMNA

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
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 GAA 1040/4885P2RX7 4755/4885USP2 4284/4885

“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.