SCHEMBL8991969

SCHEMBL8991969

CCOC(=O)c1nc(C)c(C)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
APP P05067 1/20 0.49
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE4D Q08499 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
HTT P42858 1/20 0.44
TARBP2 Q15633 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL21572852 0.96 ALDH1A1 (0.56) ALDH1A1CYP1A2APPGAAKDM4E
SCHEMBL2131407 0.86 ALDH1A1 (0.45) ALDH1A1CYP1A2GAAKDM4ENPC1
SCHEMBL2126222 0.84 ALDH1A1 (0.44) ALDH1A1CYP1A2GAAKDM4ENPC1
SCHEMBL10021545 0.80 APP (0.44) ALDH1A1CYP1A2APPGAAKDM4E
SCHEMBL28674719 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2GAAKDM4ENPC1
SCHEMBL2409880 0.79 ALDH1A1 (0.43) ALDH1A1CYP1A2GAAKDM4ENPC1
SCHEMBL5880357 0.77 KDM4E (0.48) ALDH1A1CYP1A2KDM4ENPC1MAPT
SCHEMBL2025252 0.77 LMNA (0.57) ALDH1A1CYP1A2GAAKDM4ENPC1
SCHEMBL2407562 0.77 GLP1R (0.51) ALDH1A1CYP1A2KDM4ENPC1LMNA
SCHEMBL2408256 0.77 NPSR1 (0.61) ALDH1A1APPGAAKDM4EHPGD

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
CN-118026952-A Pramipexole prodrug, long-acting preparation and application thereof 天地恒一制药股份有限公司 2024-05-14 CN disclosed
US-20120289520-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2012-11-15 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188092-B2 Substituted pyrazines as DGAT-1 inhibitors ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20100324068-A1 CHEMICAL COMPOUNDS 785 ASTRAZENECA AB (SE) 2010-12-23 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 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 (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-20100324068-A1 CHEMICAL COMPOUNDS 785 GPBAR1, DGAT1, GPR119 ALDH1A1 699/4885CYP1A2 366/4885APP 3469/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ALDH1A1 272/4885CYP1A2 417/4885APP 3419/4885
US-20120289520-A1 CHEMICAL COMPOUNDS 785 DGAT1, DGAT2, SLC5A1 ALDH1A1 208/4885CYP1A2 543/4885APP 1844/4885

“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.