SCHEMBL21906512

SCHEMBL21906512

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.51
MAPK14 Q16539 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
RAF1 P04049 1/20 0.37
HSPB1 P04792 1/20 0.36
GRIN2B Q13224 3/20 0.35
P2RX3 P56373 1/20 0.34
MET P08581 1/20 0.33
PPARG P37231 1/20 0.33
GRIN1 Q05586 2/20 0.33

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
SCHEMBL21906355 0.86 HSPB1 (0.49) RXRBMAPK14HSPB1
SCHEMBL21906508 0.86 RXRB (0.49) RXRBMRGPRX4HTR1APPARG
SCHEMBL21906515 0.83 RXRB (0.50) RXRBMRGPRX4SLC6A2SLC6A4
SCHEMBL21906319 0.81 RXRB (0.51) RXRBMAPK14MRGPRX4SLC6A4HSPB1
SCHEMBL21906513 0.80 RXRB (0.46) RXRBMRGPRX4HTR1ASLC6A2SLC6A4
SCHEMBL21906693 0.80 MEN1 (0.53) RXRB
SCHEMBL21906358 0.76 NPC1 (0.50) RXRBP2RX3
SCHEMBL21907336 0.75 RXRB (0.46) RXRBMRGPRX4RAF1HSPB1GRIN2B
SCHEMBL21906687 0.72 RXRB (0.51) RXRBMAPK14HTR1ASLC6A2SLC6A4
SCHEMBL21906507 0.72 RXRB (0.46) RXRBHTR1ASLC6A2SLC6A4

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 595/4885MAPK14 1243/4885MRGPRX4 283/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885MAPK14 1243/4885MRGPRX4 283/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885MAPK14 1243/4885MRGPRX4 283/4885

“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.