SCHEMBL3490122

SCHEMBL3490122

CC(C)(C)OC(=O)NN=C1CCSCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.43
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 6/20 0.38
MIF P14174 1/20 0.38
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL573354 0.84 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9AMIF
SCHEMBL272269 0.84 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL12779155 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL182243 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL1406859 0.80 KMT2A (0.58) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL2672312 0.80 KMT2A (0.58) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL20583542 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL5230106 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL4034600 0.79 KDM4E (0.59) ALDH1A1KMT2AMAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL1781552 0.79 KMT2A (0.57) ALDH1A1KMT2AMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166161-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-27 CN disclosed
CN-113166159-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-24 CN disclosed
EP-3672958-B1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-08-02 EP disclosed
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-27 US disclosed
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
CN-113166159-A Compound with PDE9A inhibitory activity and pharmaceutical use thereof 韩国化学研究院 2021-07-23 CN disclosed
CN-113166161-A Compound with PDE9A inhibitory activity and pharmaceutical use thereof 韩国化学研究院 2021-07-23 CN disclosed
US-20200289516-A1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2020-09-17 US disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
WO-2020116971-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US 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-20200289516-A1 ANNULATED GLYCOSIDASE INHIBITORS GAA, GBA3, ENGASE ALDH1A1 1208/4885KMT2A 1472/4885MAPT 26/4885
US-20220024932-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A ALDH1A1 517/4885KMT2A 1360/4885MAPT 3479/4885
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A ALDH1A1 517/4885KMT2A 1360/4885MAPT 3479/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 ALDH1A1 1704/4885KMT2A 2289/4885MAPT 2903/4885

“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.