SCHEMBL76104

SCHEMBL76104

FC(F)(F)COc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ROCK1 Q13464 2/20 0.42
IKBKB O14920 1/20 0.41
SLC6A4 P31645 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ACACB O00763 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL75024 0.98 HRH1 (0.53) HRH1MMP13MMP14ROCK1IKBKB
SCHEMBL14795267 0.87 HRH1 (0.47) HRH1MMP13MMP14ROCK1IKBKB
Hydrochloric Acid SCHEMBL76279 0.86 HRH1 (0.50) HRH1MMP13MMP14ROCK1IKBKB
SCHEMBL74143 0.86 HRH1 (0.53) HRH1MMP13MMP14ROCK1IKBKB
SCHEMBL3957166 0.85 MMP13 (0.49) HRH1MMP13MMP14ROCK1IKBKB
SCHEMBL12169150 0.85 HRH1 (0.53) HRH1MMP13ROCK1IKBKBSLC6A4
SCHEMBL14795181 0.85 HRH1 (0.43) HRH1MMP13MMP14HRH3ACACB
Hydrochloric Acid SCHEMBL74092 0.84 HRH1 (0.51) HRH1MMP13MMP14ROCK1IKBKB
Hydrochloric Acid SCHEMBL1807488 0.84 HRH1 (0.51) HRH1MMP13ROCK1IKBKBSLC6A4
Hydrochloric Acid SCHEMBL75063 0.84 MMP13 (0.48) HRH1MMP13MMP14ROCK1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
EP-2573090-B1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD (CN) 2014-12-10 EP disclosed
US-8563547-B2 (6,7-dihydro-2-nitro-5H-imidazol[2,1-b][1,3]oxazin-6-yl) amide compounds, preparation methods and uses thereof SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-10-22 US disclosed
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-06-06 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2573090-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6-YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd (CN) 2013-03-27 EP disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
US-8129412-B2 Hydantoin derivatives useful as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-03-06 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
EP-1828166-B1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20080280950-A1 Hydantoin Derivatives Useful as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1828166-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006064218-A1 HYDANTOIN DERIVATIVES USEFUL AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (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-20080280950-A1 Hydantoin Derivatives Useful as Metalloproteinase Inhibitors MMP3, MMP9, MMP2 HRH1 169/4885MMP13 13/4885MMP14 10/4885
US-20130143864-A1 (6,7-DIHYDRO-2-NITRO-5H-IMIDAZOL[2,1-B][1,3]OXAZIN-6YL) AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF MT-ND6, SLC11A2, NDUFB7 HRH1 1409/4885MMP13 3963/4885MMP14 3274/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I HRH1 1289/4885MMP13 4116/4885MMP14 3365/4885

“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.