SCHEMBL21906508

SCHEMBL21906508

Cc1ccc(Oc2cnc(CO)cn2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
HPGD P15428 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 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
SCHEMBL21906319 0.86 RXRB (0.51) RXRBMRGPRX4
SCHEMBL21906512 0.86 RXRB (0.51) RXRBHTR1AMRGPRX4PPARG
SCHEMBL21906519 0.79 RXRB (0.45) RXRBL3MBTL1EGLN1SMN1; SMN2KMT2A
SCHEMBL21906358 0.78 NPC1 (0.50) RXRBEGLN1KMT2AMEN1GAA
SCHEMBL21906355 0.73 HSPB1 (0.49) RXRB
SCHEMBL21906677 0.73 RXRB (0.45) RXRBL3MBTL1EGLN1KMT2AMEN1
SCHEMBL21906515 0.71 RXRB (0.50) RXRBL3MBTL1MRGPRX4
SCHEMBL4065605 0.71 KEAP1 (0.59) L3MBTL1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL21903942 0.71 KDM4E (0.64) RXRBL3MBTL1EGLN1SMN1; SMN2KMT2A
SCHEMBL2561502 0.71 L3MBTL1 (0.40) RXRBL3MBTL1EGLN1SMN1; SMN2KMT2A

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
EP-3867244-B1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2023-01-18 EP disclosed
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-09 US disclosed
US-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079039-A1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 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-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885L3MBTL1 4783/4885EGLN1 3999/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885L3MBTL1 4783/4885EGLN1 3999/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885L3MBTL1 4783/4885EGLN1 3999/4885

“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.