SCHEMBL2171547

SCHEMBL2171547

O=C(NNC1CC2CCC1C2)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL13638725 0.90 CPB1 (0.57) CPB1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL6813787 0.90 CPB1 (0.57) CPB1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL6809188 0.90 CPB1 (0.57) CPB1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL2168826 0.79 EPHX2 (0.58) CPB1SMN1; SMN2ALDH1A1GAAHSD11B1
SCHEMBL12093039 0.76 ALDH1A1 (0.66) CPB1ALDH1A1GAATSHRHSD11B1
SCHEMBL21895380 0.76 HPGD (0.58) CPB1HPGDSMN1; SMN2ALDH1A1TSHR
SCHEMBL12093097 0.76 ALDH1A1 (0.66) CPB1ALDH1A1GAATSHRHSD11B1
SCHEMBL1069450 0.75 CPB1 (0.43) CPB1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL1069452 0.75 CPB1 (0.43) CPB1HPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL13794070 0.75 ALDH1A1 (0.53) CPB1ALDH1A1GAATSHRHSD11B1

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 3 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
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

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 CPB1 1081/4885HPGD 101/4885SMN1; SMN2 3043/4885

“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.