SCHEMBL17619231

SCHEMBL17619231

Cc1cnc(C2CCOCC2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
PDE1B Q01064 5/20 0.38
PDE1A P54750 4/20 0.33
PDE1C Q14123 4/20 0.33
TGFBR1 P36897 1/20 0.33
CHRM4 P08173 1/20 0.33
DAO P14920 1/20 0.33
CSF1R P07333 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
HPGDS O60760 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
PDE9A O76083 1/20 0.31

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
SCHEMBL25690929 0.89 PDE1B (0.34) MAPK1PDE1BPIK3C3
SCHEMBL25690928 0.82 NPC1 (0.37) KDM5BHPGDS
SCHEMBL19862537 0.82 NPC1 (0.40) MAPK1HPGDS
SCHEMBL6633135 0.81 NPC1 (0.42) CSF1RHPGDS
SCHEMBL8489672 0.79 HPGDS (0.48) HPGDS
Hydrochloric Acid SCHEMBL22468947 0.78 HPGDS (0.47) HPGDS
SCHEMBL21453769 0.77 PDE1B (0.34) MAPK1PDE1BPDE1APDE1CDAO
SCHEMBL15893921 0.77 CASP3 (0.34) MAPK1PDE1BPDE1APDE1CCSF1R
SCHEMBL22860618 0.76 PARP1 (0.44) HPGDS
SCHEMBL19398933 0.75 PDE1B (0.35) MAPK1PDE1BPDE1APDE1CDAO

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-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS CARDURION PHARMACEUTICALS, INC. 2023-06-15 US disclosed
WO-2023088493-A1 FURO-PYRIDONE COMPOUND AND USE THEREOF 中国科学院广州生物医药与健康研究院 2023-05-25 WO disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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 (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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A MAPK1 2891/4885PDE1B 15/4885PDE1A 13/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A MAPK1 1503/4885PDE1B 17/4885PDE1A 14/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 MAPK1 2211/4885PDE1B 1585/4885PDE1A 1780/4885
US-20230183244-A1 METHODS OF MAKING AND USING PDE9 INHIBITORS PDE9A, PDE4B, PDE12 MAPK1 3550/4885PDE1B 12/4885PDE1A 9/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A MAPK1 2274/4885PDE1B 19/4885PDE1A 15/4885

“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.