SCHEMBL21907336

SCHEMBL21907336

COC(=O)c1cnc(Oc2ccc(C)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRB P28702 3/20 0.46
RAF1 P04049 1/20 0.42
MET P08581 2/20 0.40
MAPK1 P28482 1/20 0.39
HSPB1 P04792 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
GRIN2B Q13224 2/20 0.37
GRIN1 Q05586 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GCK P35557 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36

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
SCHEMBL21906327 0.88 HSPB1 (0.51) RXRBMETMAPK1HSPB1KDM4E
SCHEMBL21906677 0.87 RXRB (0.45) RXRBMAPK1MRGPRX4KDM4EGCK
SCHEMBL21906688 0.86 RXRB (0.47) RXRBMETMAPK1HSPB1MRGPRX4
SCHEMBL14659263 0.83 MEN1 (0.48) RXRBMAPK1KDM4EGCK
SCHEMBL21906516 0.82 OXTR (0.47) RXRBMAPK1HSPB1
SCHEMBL23437456 0.80 MET (0.41) METMAPK1MRGPRX4GRIN2BGRIN1
SCHEMBL16762015 0.78 CHRNA7 (0.50) RXRBMAPK1KDM4E
SCHEMBL30879524 0.78 CHRNA7 (0.50) RXRBMAPK1KDM4E
SCHEMBL21906524 0.76 RXRB (0.43) RXRBMAPK1KDM4EGCK
SCHEMBL21906512 0.75 RXRB (0.51) RXRBRAF1METHSPB1MRGPRX4

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 595/4885RAF1 2967/4885MET 1137/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885RAF1 2967/4885MET 1137/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885RAF1 2967/4885MET 1137/4885

“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.