SCHEMBL957929

SCHEMBL957929

[c]1ccc(CN2CCOCC2)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
CXCR4 P61073 1/20 0.44
CYP2A13 Q16696 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NCF1 P14598 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KCNJ1 P48048 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
SCHEMBL953626 0.85 HRH3 (0.43) HRH3ALDH1A1SMN1; SMN2NCF1
SCHEMBL3586642 0.83 HRH3 (0.47) HRH3ALDH1A1HTTSMN1; SMN2
SCHEMBL2972644 0.80 MC4R (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NCF1
SCHEMBL60705 0.69 HRH3 (0.66) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL15467001 0.69 HRH3 (0.87) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL17157069 0.68 SMN1; SMN2 (0.55) HRH3ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL7568331 0.68 HRH3 (0.63) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL8263606 0.67 ALDH1A1 (0.63) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL4143256 0.67 HTT (0.61) HRH3ALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL1472855 0.67 GFER (0.64) HRH3ALDH1A1CYP2C9ALOX15HSD17B10

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253737-B3 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2024-05-29 EP claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-11453666-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-27 US claimed
CN-107428752-B Home chemokine inhibiting compounds 癌症研究科技有限公司 2021-06-29 CN claimed
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 US claimed
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-18 US claimed
WO-2016124939-A1 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO claimed
WO-2006070202-A1 PYRAZOLE DERIVATIVES HAVING KINASE MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
EP-3253737-B3 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2024-05-29 EP disclosed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US disclosed
US-11453666-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-09-27 US disclosed
CN-107428752-B Home chemokine inhibiting compounds 癌症研究科技有限公司 2021-06-29 CN disclosed
US-20200283435-A1 Autotaxin Inhibitory Compunds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-09-10 US disclosed
US-10654846-B2 Autotaxin inhibitory compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-19 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006070202-A1 PYRAZOLE DERIVATIVES HAVING KINASE MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
EP-1651612-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS Astex Therapeutics Limited (GB) 2006-05-03 EP disclosed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 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 (5 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 HRH3 3763/4885ALDH1A1 1318/4885CYP2C9 4247/4885
US-10654846-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 HRH3 982/4885ALDH1A1 2181/4885CYP2C9 4627/4885
US-20200283435-A1 Autotaxin Inhibitory Compunds ENPP2, RNASE1, ATXN10 HRH3 1377/4885ALDH1A1 2473/4885CYP2C9 4564/4885
US-11453666-B2 Autotaxin inhibitory compounds ENPP2, RNASE1, ATXN10 HRH3 1100/4885ALDH1A1 2014/4885CYP2C9 4568/4885
US-20180016274-A1 AUTOTAXIN INHIBITORY COMPOUNDS ENPP2, RNASE1, ATXN10 HRH3 982/4885ALDH1A1 2181/4885CYP2C9 4627/4885

“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.