SCHEMBL19640910

SCHEMBL19640910

O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1C2CCC1CNC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.52
CNR1 P21554 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 3/20 0.38
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HTR6 P50406 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 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
SCHEMBL19640795 0.85 AKR1C3 (0.55) AKR1C3CNR1GAAHTR6
SCHEMBL19640886 0.84 AKR1C3 (0.52) AKR1C3HSD11B1HTR6CYP3A4
SCHEMBL19640817 0.79 AKR1C3 (0.49) AKR1C3HTR6
Hydrochloric Acid SCHEMBL19640871 0.78 AKR1C3 (0.48) AKR1C3HTR6
SCHEMBL19640837 0.76 AKR1C3 (0.49) AKR1C3CNR1L3MBTL1HSD11B1
SCHEMBL19640794 0.76 AKR1C3 (0.49) AKR1C3CNR1HTR6
SCHEMBL19640858 0.72 AKR1C3 (0.49) AKR1C3L3MBTL1HSD11B1GAAHTR6
SCHEMBL4391285 0.72 CNR1 (0.67) AKR1C3CNR1L3MBTL1KCNH2
SCHEMBL19640892 0.72 AKR1C3 (0.52) AKR1C3HTR6
SCHEMBL19640791 0.71 ACHE (0.54) AKR1C3L3MBTL1GAAHTR6CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464288-B1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2020-12-23 EP disclosed
EP-3464288-B1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2020-12-23 EP disclosed
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-01 US disclosed
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-01 US disclosed
US-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2017-11-30 US disclosed
US-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES Bayer Pharma AG (DE) 2017-11-30 US disclosed
WO-2017202817-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL] (1H-1,2,3-TRIAZOL-4-YL)METHANONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 WO 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 (2 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-20170342082-A1 [8-(PHENYLSULFONYL)-3,8-DIAZABICYCLO[3.2.1]OCT-3-YL](1H-1,2,3-TRIAZOL-4-YL)METHANONES PKD1, PKD2, PDK3 AKR1C3 45/4885CNR1 1300/4885L3MBTL1 3805/4885
US-10167293-B2 [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones PKD1, PKD2, PDK3 AKR1C3 45/4885CNR1 1300/4885L3MBTL1 3805/4885

“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.