SCHEMBL24860958

SCHEMBL24860958

N#Cc1cc(Br)ccc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
SLC6A4 P31645 1/20 0.38
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
CSNK2A1 P68400 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL17306341 0.98 XDH (0.46) XDHNPY1RNPY2RPDE5APDE1A
SCHEMBL15716135 0.97 XDH (0.44) XDHNPY1RNPY2RPDE5APDE1A
SCHEMBL1667546 0.86 TBK1 (0.51) IKBKETBK1
SCHEMBL17289661 0.86 TBK1 (0.38) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL17289929 0.84 TBK1 (0.46) XDHIKBKETBK1
SCHEMBL17289631 0.84 NOS3 (0.36) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL17289632 0.84 TBK1 (0.42) XDHSLC6A4IKBKETBK1
SCHEMBL17630708 0.84 TBK1 (0.40) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL2724566 0.83 KCNJ1 (0.40) NPY1RNPY2RMAOAMAOBSLC6A4
SCHEMBL14977113 0.83 TBK1 (0.40) MAOAMAOBSLC6A4IKBKETBK1

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
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
US-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-09-21 US disclosed
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-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
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
CN-110078668-B Phenyl imidazole XOR inhibitor, preparation and application 华南理工大学 2023-03-24 CN disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 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 (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-20230295076-A1 ACETOPHENONE OXIME COMPOUND AND APPLICATION THEREOF CYP11B2, ALDH7A1, CYP11B1 XDH 164/4885NPY1R 2335/4885NPY2R 1420/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 XDH 303/4885NPY1R 577/4885NPY2R 117/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 XDH 303/4885NPY1R 577/4885NPY2R 117/4885

“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.