SCHEMBL15898967

SCHEMBL15898967

CCOC(=O)c1noc2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
MAPT P10636 3/20 0.49
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 2/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 1/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL13209975 0.83 THRB (0.51) MLYCDMAPTLMNAKDM4EALDH1A1
SCHEMBL31435418 0.82 MAPT (0.54) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL17321037 0.82 MAPT (0.54) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL1965601 0.80 ELANE (0.49) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL31435424 0.80 MAOB (0.55) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25408093 0.80 MAOB (0.55) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30440611 0.80 ELANE (0.49) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL1572943 0.76 KDM4E (0.52) HIF1APOLBKDM4EALDH1A1KMT2A
SCHEMBL30174438 0.76 KDM4E (0.52) HIF1APOLBKDM4EALDH1A1KMT2A
SCHEMBL25228297 0.76 MMP2 (0.49) MLYCDMAPTALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
EP-2945944-B1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 US disclosed
WO-2014111457-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-07-24 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 (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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MLYCD 4435/4885MAPT 1082/4885CCR2 4121/4885
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MLYCD 4473/4885MAPT 828/4885CCR2 3858/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 MLYCD 4435/4885MAPT 1082/4885CCR2 4121/4885

“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.