SCHEMBL21906363

SCHEMBL21906363

Cc1cc(F)ccc1Oc1cnc(COS(C)(=O)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.46
OXTR P30559 1/20 0.42
SLC6A4 P31645 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
SCN9A Q15858 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPK14 Q16539 3/20 0.35
NOTUM Q6P988 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
HSPB1 P04792 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
GRM5 P41594 1/20 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
SCHEMBL21906531 0.89 RXRB (0.46) RXRBPTGS1PTGS2MAPK14HSPB1
SCHEMBL21906519 0.88 RXRB (0.45) RXRBMRGPRX4
SCHEMBL21906513 0.83 RXRB (0.46) RXRBSLC6A4SCN9APTGS1PTGS2
SCHEMBL21907350 0.81 MEN1 (0.45) RXRB
SCHEMBL21906497 0.81 L3MBTL1 (0.46) RXRBSCN9AHSPB1
SCHEMBL21907354 0.80 RXRB (0.47) RXRBSLC6A4SLC22A12SCN9APTGS1
SCHEMBL21906319 0.80 RXRB (0.51) RXRBOXTRSLC6A4MRGPRX4MAPK14
SCHEMBL21906697 0.77 HTT (0.45) RXRBOXTRSLC6A4PTGS1PTGS2
SCHEMBL21906395 0.76 RXRB (0.46) RXRBOXTRSLC6A4
SCHEMBL21906704 0.75 RXRB (0.43) RXRBOXTR

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 595/4885OXTR 804/4885SLC6A4 475/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885OXTR 804/4885SLC6A4 475/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885OXTR 804/4885SLC6A4 475/4885

“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.