SCHEMBL21906355

SCHEMBL21906355

OCc1cnc(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.49
RXRB P28702 6/20 0.48
MAP4K4 O95819 1/20 0.41
MAPK14 Q16539 1/20 0.40
TRPA1 O75762 7/20 0.39
CARM1 Q86X55 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL21906512 0.86 RXRB (0.51) HSPB1RXRBMAPK14
SCHEMBL21906515 0.86 RXRB (0.50) RXRB
SCHEMBL21906319 0.86 RXRB (0.51) HSPB1RXRBMAPK14
SCHEMBL21906693 0.85 MEN1 (0.53) RXRBMAP4K4KDM4E
SCHEMBL21906532 0.80 RXRB (0.45) HSPB1RXRBMAP4K4TRPA1
SCHEMBL23361483 0.79 HSPB1 (0.56) HSPB1RXRBMAP4K4MAPK14TRPA1
SCHEMBL29874073 0.79 HSPB1 (0.56) HSPB1RXRBMAP4K4MAPK14TRPA1
SCHEMBL21906692 0.78 L3MBTL1 (0.50) HSPB1RXRBKDM4E
SCHEMBL21906531 0.78 RXRB (0.46) HSPB1RXRBMAPK14TRPA1
SCHEMBL24298069 0.77 HSPB1 (0.52) HSPB1MAP4K4MAPK14TRPA1

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 HSPB1 3171/4885RXRB 595/4885MAP4K4 593/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A HSPB1 3171/4885RXRB 595/4885MAP4K4 593/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A HSPB1 3171/4885RXRB 595/4885MAP4K4 593/4885

“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.