SCHEMBL3124387

SCHEMBL3124387

O=C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
HPGD P15428 1/20 0.71
TSHR P16473 1/20 0.71
KMT2A Q03164 1/20 0.71
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSD11B1 P28845 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
EPHX2 P34913 4/20 0.55
MGLL Q99685 1/20 0.55
MLYCD O95822 4/20 0.54
SLC6A7 Q99884 1/20 0.53
TEAD1 P28347 1/20 0.52
EPHX1 P07099 1/20 0.52
GPR183 P32249 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
Ethylene SCHEMBL8378248 0.97 MEN1 (0.67) MEN1HPGDTSHRKMT2AGAA
SCHEMBL24120195 0.86 HPGD (0.61) MEN1HPGDTSHRKMT2AMLYCD
SCHEMBL25332539 0.85 MEN1 (0.69) MEN1HPGDTSHRKMT2AGAA
SCHEMBL2686486 0.84 HPGD (0.96) MEN1HPGDTSHRKMT2AGAA
SCHEMBL1534297 0.83 HIF1A (0.58) MEN1HPGDTSHRKMT2A
SCHEMBL16823464 0.83 MEN1 (0.71) MEN1HPGDTSHRKMT2AHSD11B1
SCHEMBL31629059 0.83 MEN1 (0.61) MEN1HPGDTSHRKMT2AGAA
SCHEMBL9677283 0.83 HPGD (1.00) MEN1HPGDTSHRKMT2AGAA
SCHEMBL16845160 0.82 MEN1 (0.55) MEN1HPGDTSHRKMT2AMLYCD
SCHEMBL2295165 0.81 LMNA (0.74) MEN1HPGDKMT2AGAAHSD11B1

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-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 WO disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 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 (3 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-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 MEN1 2637/4885HPGD 2011/4885TSHR 263/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 MEN1 2871/4885HPGD 2555/4885TSHR 257/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 MEN1 3214/4885HPGD 1847/4885TSHR 1648/4885

“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.