SCHEMBL23210302

SCHEMBL23210302

OCCC(CCO)c1cccc(F)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NPC1 O15118 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
GLRA1 P23415 2/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL29691293 1.00 KDM1A (0.46) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL29619694 0.83 KDM1A (0.48) KDM1AMAOAMAOBCYP4F2CYP4A11
SCHEMBL23213242 0.83 KDM1A (0.48) KDM1AMAOAMAOBCYP4F2CYP4A11
SCHEMBL26942219 0.78 KDM1A (0.61) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL23210255 0.77 SGMS2 (0.48) HTR1ALTA4HKDM4EL3MBTL1ALDH1A1
SCHEMBL29619700 0.77 SGMS2 (0.48) HTR1ALTA4HKDM4EL3MBTL1ALDH1A1
SCHEMBL23295193 0.77 MRGPRX4 (0.41) KDM1ACYP4F2CYP4A11NPC1MRGPRX4
SCHEMBL29619690 0.77 MRGPRX4 (0.41) KDM1ACYP4F2CYP4A11NPC1MRGPRX4
SCHEMBL23212914 0.75 SGMS2 (0.46) HTR1ALTA4HKDM4EL3MBTL1ALDH1A1
SCHEMBL6036178 0.74 KDM1A (0.51) KDM1AMAOAMAOBHTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2024-10-22 US disclosed
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 US disclosed
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists NOVARTIS AG (CH) 2023-01-10 US disclosed
EP-4041389-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS Novartis AG (CH) 2022-08-17 EP disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
US-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2021-04-15 US disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 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-20210107889-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 KDM1A 1197/4885MAOA 1354/4885MAOB 1384/4885
US-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 KDM1A 1197/4885MAOA 1354/4885MAOB 1384/4885
US-12122761-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 KDM1A 1197/4885MAOA 1354/4885MAOB 1384/4885
US-11548865-B2 2-azaspiro[3.4]octane derivatives as M4 agonists CHRM2, CHRM1, CHRM3 KDM1A 1197/4885MAOA 1354/4885MAOB 1384/4885

“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.