SCHEMBL2170837

SCHEMBL2170837

O=C1CN(Cc2ccccc2)N1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CXCR3 P49682 1/20 0.41
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT6 P42226 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36

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
SCHEMBL2168867 0.87 CXCR3 (0.42) HSD11B1CXCR3ALDH1A1EPHX2
SCHEMBL2168354 0.86 KMT2A (0.38) HSD11B1GAAALDH1A1SMN1; SMN2
SCHEMBL2169374 0.86 HTT (0.37) HSD11B1TSHRALDH1A1
SCHEMBL12013093 0.83 HSD11B1 (0.32) HSD11B1
SCHEMBL2180358 0.82 CMA1 (0.43) GAAALDH1A1CYP2C19GSK3AGSK3B
SCHEMBL2170272 0.82 KDM4E (0.38) CHRM5ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2168793 0.81 POLB (0.40) ALDH1A1SMN1; SMN2
SCHEMBL2169990 0.75 HSD11B1 (0.45) HSD11B1TSHRALDH1A1HPGDCTSG
SCHEMBL2169144 0.74 HSD11B1 (0.47) HSD11B1CHRM2CHRM4CHRM5CXCR3
SCHEMBL2169652 0.73 HSD11B1 (0.43) HSD11B1CHRM2CHRM4CHRM5CXCR3

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 8 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 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 1/4885CHRM2 2790/4885CHRM4 4133/4885

“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.