SCHEMBL5540336

SCHEMBL5540336

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
HSD11B1 P28845 1/20 0.45
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRKDC P78527 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CHRM4 P08173 4/20 0.42
LCAT P04180 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6074894 0.83 KMT2A (0.54) KCNH2FFAR4MEN1MAPTKMT2A
SCHEMBL17893529 0.82 NOTUM (0.54) KCNH2PRKDCFFAR4CHRM4
SCHEMBL29471932 0.82 KCNA5 (0.50) KCNA5KCNH2POLBL3MBTL1FFAR4
SCHEMBL2426703 0.82 KCNA5 (0.50) KCNA5KCNH2POLBL3MBTL1FFAR4
SCHEMBL14638126 0.81 KCNA5 (0.42) KCNA5HSD11B1KCNH2POLBL3MBTL1
SCHEMBL17893600 0.81 FFAR4 (0.37) KCNA5HSD11B1PRKDCFFAR4KMT2A
SCHEMBL28161315 0.80 EPHX2 (0.50) KCNA5KCNH2POLBL3MBTL1CHRM4
SCHEMBL14034903 0.80 KCNA5 (0.44) KCNA5KCNH2POLBL3MBTL1FFAR4
SCHEMBL29378787 0.79 KCNA5 (0.48) KCNA5KCNH2POLBL3MBTL1PRKDC
SCHEMBL28816944 0.79 KCNA5 (0.48) KCNA5KCNH2POLBL3MBTL1PRKDC

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132470-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2024-04-25 US disclosed
US-11866419-B2 Antibacterial compounds Janssen Sciences Ireland Unlimited Company (IE) 2024-01-09 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
EP-4074378-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2022-10-19 EP disclosed
EP-3316969-B1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-02 EP disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
CN-108235704-A ANTIBACTERIAL COMPOUNDS 爱尔兰詹森科学公司 2018-06-29 CN disclosed
WO-2017001660-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-01-05 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (7 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KCNA5 3953/4885HSD11B1 256/4885KCNH2 3503/4885
US-11866419-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885
US-20240132470-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 KCNA5 2932/4885HSD11B1 2474/4885KCNH2 3752/4885

“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.