SCHEMBL5829583

SCHEMBL5829583

CC(C)NC(=O)OCCON

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
ADRA1A P35348 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HRH3 Q9Y5N1 5/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PLG P00747 1/20 0.33
TPSAB1 Q15661 1/20 0.33

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
SCHEMBL18131109 0.81 LMNA (0.44) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL12846318 0.81 CA12 (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL19921260 0.78 ACHE (0.47) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL8385048 0.78 TSHR (0.49) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL18353142 0.78 ATM (0.45) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL1415901 0.77 TSHR (0.40) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL12787080 0.77 CHRNB2 (0.44) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL25135275 0.76 MEN1 (0.42) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13404615 0.76 TSHR (0.44) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL12905671 0.76 HRH3 (0.55) ACHEHRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050883-B1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVES AND INTERMEDIATES MEIJI SEIKA PHARMA CO LTD (JP) 2020-04-22 EP disclosed
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
US-10000492-B2 Process for producing diazabicyclooctane derivative MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-10-05 US disclosed
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-09-15 US disclosed
EP-3050883-A1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIARY BODY THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2016-08-03 EP disclosed
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 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 (4 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-10000492-B2 Process for producing diazabicyclooctane derivative OGFOD1, HAAO, CLCN2 TSHR 2450/4885LMNA 1607/4885CYP3A4 177/4885
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE OGFOD1, HAAO, CLCN2 TSHR 2450/4885LMNA 1607/4885CYP3A4 177/4885
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF CLCN2, ODC1, KCNN4 TSHR 2482/4885LMNA 921/4885CYP3A4 178/4885
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof CLCN2, ODC1, KCNN4 TSHR 2482/4885LMNA 921/4885CYP3A4 178/4885

“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.