SCHEMBL2169540

SCHEMBL2169540

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.37
DBH P09172 1/20 0.36
P2RX7 Q99572 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
GPBAR1 Q8TDU6 4/20 0.33
HSD11B1 P28845 1/20 0.33
XIAP P98170 1/20 0.32
DRD4 P21917 1/20 0.32
EPHX2 P34913 1/20 0.32
FAAH O00519 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
SCHEMBL2168686 0.91 P2RX7 (0.40) CXCR3P2RX7
SCHEMBL2169632 0.89 DPP4 (0.35) CXCR3P2RX7MEN1KMT2ADPP4
SCHEMBL2168703 0.86 P2RX7 (0.40) P2RX7MEN1KMT2AHSD11B1
SCHEMBL2169517 0.84 DBH (0.35) DBHP2RX7DRD2DRD3KCNH2
SCHEMBL2170264 0.84 CXCR3 (0.40) CXCR3P2RX7HSD11B1EPHX2
SCHEMBL2168608 0.82 ALDH1A1 (0.42) P2RX7MEN1KMT2A
SCHEMBL2170139 0.81 HSD11B1 (0.40) DBHMEN1KMT2AHSD11B1
SCHEMBL2170529 0.81 ALDH1A1 (0.39) DBHP2RX7
SCHEMBL2170045 0.80 TSHR (0.36) P2RX7HSD11B1EPHX2
SCHEMBL2168880 0.80 P2RX7 (0.39) CXCR3P2RX7MEN1KMT2A

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 CXCR3 3206/4885DBH 189/4885P2RX7 4755/4885

“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.