SCHEMBL10155734

SCHEMBL10155734

[2H]C([2H])([2H])Oc1cnc(C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.58
NNMT P40261 1/20 0.47
KDM4E B2RXH2 6/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HCAR2 Q8TDS4 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P4HTM Q9NXG6 3/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
BACE1 P56817 1/20 0.35
MAPT P10636 2/20 0.35
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34

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
SCHEMBL347508 0.86 SIRT6 (0.75) SIRT6NNMTKDM4EMAPK1L3MBTL1
SCHEMBL31132573 0.86 SIRT6 (0.75) SIRT6NNMTKDM4EMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL17668902 0.85 SIRT6 (0.72) SIRT6NNMTKDM4EMAPK1L3MBTL1
SCHEMBL17727927 0.84 SIRT6 (0.51) SIRT6NNMTKDM4EMAPK1L3MBTL1
Hydrazine SCHEMBL28698640 0.83 SIRT6 (0.76) SIRT6NNMTKDM4EMAPK1L3MBTL1
SCHEMBL17736459 0.79 SIRT6 (0.59) SIRT6NNMTKDM4EMAPK1L3MBTL1
SCHEMBL991588 0.76 MAPT (0.56) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL70035 0.74 KDM4E (0.59) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL9947622 0.74 SIRT6 (0.49) SIRT6KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL13524601 0.73 SIRT6 (0.67) SIRT6NNMTKDM4EMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218362-B1 2-AMINO-3,5-DIFLUORO-3,6-DIMETHYL-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATING ALZHEIMER'S DISEASE H LUNDBECK AS (DK) 2019-01-09 EP disclosed
US-10059669-B2 2-amino-3,5-difluoro-3,6-dimethyl-6-phenyl-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treating alzheimer's disease H. LUNDBECK A/S (DK) 2018-08-28 US disclosed
EP-3334738-A1 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS H. Lundbeck A/S (DK) 2018-06-20 EP disclosed
US-20170313658-A1 2-Amino-3,5-Difluoro-3,6-Dimethyl-6-Phenyl-3,4,5,6-Tetrahydropyridines as BACE1 Inhibitors for Treating Alzheimer's Disease H. LUNDBECK A/S (DK) 2017-11-02 US disclosed
WO-2017025565-A1 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS H. LUNDBECK A/S (DK) 2017-02-16 WO disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP SIRT6 3301/4885NNMT 1986/4885KDM4E 2418/4885
US-10059669-B2 2-amino-3,5-difluoro-3,6-dimethyl-6-phenyl-3,4,5,6-tetrahydropyridines as BACE1 inhibitors for treating alzheimer's disease BACE1, BACE2, APP SIRT6 1116/4885NNMT 406/4885KDM4E 613/4885
US-20170313658-A1 2-Amino-3,5-Difluoro-3,6-Dimethyl-6-Phenyl-3,4,5,6-Tetrahydropyridines as BACE1 Inhibitors for Treating Alzheimer's Disease BACE1, BACE2, APP SIRT6 1116/4885NNMT 406/4885KDM4E 613/4885

“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.