SCHEMBL1962687

SCHEMBL1962687

COC(=O)c1cnc(OC(C)C)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.46
MAPK1 P28482 2/20 0.45
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
PSMD14 O00487 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
CA12 O43570 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
SCHEMBL13583685 0.88 CA12 (0.44) GABRA5MAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL1963196 0.84 KMT2A (0.42) GABRA5ALDH1A1KMT2APOLB
SCHEMBL1505698 0.84 MAPK1 (0.50) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL10088650 0.83 ATM (0.46) GABRA5MAPK1KDM4EL3MBTL1ATM
SCHEMBL1982479 0.82 L3MBTL1 (0.41) GABRA5MAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL1964065 0.82 RORC (0.43) MAPK1KDM4EL3MBTL1ATMLMNA
SCHEMBL2702615 0.80 ALDH1A1 (0.43) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL1980216 0.78 LMNA (0.59) MAPK1KDM4EL3MBTL1ATMLMNA
SCHEMBL2714070 0.78 GABRA5 (0.48) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL2703073 0.78 GABRA5 (0.50) GABRA5MAPK1NOTUMKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
EP-4116295-A1 TRICYCLIC COMPOUNDS AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 GABRA5 645/4885MAPK1 2258/4885NOTUM 3420/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 GABRA5 52/4885MAPK1 1986/4885NOTUM 651/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 GABRA5 52/4885MAPK1 1986/4885NOTUM 651/4885

“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.