SCHEMBL2170032

SCHEMBL2170032

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1cc(Cl)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
MGLL Q99685 1/20 0.33
HSD11B2 P80365 1/20 0.33
TSHR P16473 4/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.32
HPGD P15428 4/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SIGMAR1 Q99720 4/20 0.31
KDM4E B2RXH2 1/20 0.31
CXCR3 P49682 1/20 0.31
LMNA P02545 2/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL2171870 0.89 TP53 (0.41) HSD11B1HSD11B2TSHRP2RX7ALDH1A1
SCHEMBL2170533 0.88 CXCR3 (0.38) HSD11B1MGLLHSD11B2P2RX7HPGD
SCHEMBL13368764 0.88 HCRTR1 (0.40) HSD11B1HSD11B2TSHRMAPK1P2RX7
SCHEMBL2169787 0.87 HCRTR1 (0.38) P2RX7GAASIGMAR1CNR2
SCHEMBL2169004 0.87 P2RX7 (0.40) TSHRP2RX7CXCR3ALOX15
SCHEMBL2170645 0.84 GAA (0.45) HSD11B1HSD11B2P2RX7ALDH1A1GAA
SCHEMBL2169179 0.82 KMT2A (0.39) MGLLP2RX7HPGDALDH1A1
SCHEMBL2169563 0.80 P2RX7 (0.40) HSD11B1MGLLP2RX7ALDH1A1TP53
SCHEMBL2170385 0.80 P2RX7 (0.39) P2RX7GAACNR2TP53
SCHEMBL2169689 0.79 P2RX7 (0.35) HSD11B1TSHRP2RX7GAACYP1A2

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 11 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
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 HSD11B1 1/4885MGLL 945/4885HSD11B2 2/4885

“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.