SCHEMBL21906357

SCHEMBL21906357

OCc1cnc(Oc2ccc(Cl)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRB P28702 1/20 0.45
HAO1 Q9UJM8 2/20 0.44
EGLN1 Q9GZT9 1/20 0.43
LTA4H P09960 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
P2RX3 P56373 4/20 0.37
LIPE Q05469 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21906692 0.83 L3MBTL1 (0.50) HTTL3MBTL1RXRBMEN1KMT2A
SCHEMBL21906358 0.83 NPC1 (0.50) HTTRXRBEGLN1MEN1KMT2A
SCHEMBL21906362 0.83 ALDH1A1 (0.47) HTTL3MBTL1RXRBHAO1LTA4H
SCHEMBL21906702 0.77 HTT (0.42) HTTL3MBTL1RXRBHAO1EGLN1
SCHEMBL8019976 0.77 P2RX3 (0.48) HTTL3MBTL1HAO1EGLN1LTA4H
SCHEMBL21906515 0.76 RXRB (0.50) L3MBTL1RXRB
SCHEMBL16838891 0.75 L3MBTL1 (0.53) HTTL3MBTL1HAO1LTA4HMEN1
SCHEMBL21906701 0.75 RXRB (0.42) HTTL3MBTL1RXRBHAO1EGLN1
SCHEMBL21907349 0.74 HTT (0.53) HTTRXRBMEN1KMT2AHRH3
SCHEMBL3583711 0.74 LTA4H (0.57) HTTL3MBTL1HAO1LTA4HMEN1

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 HTT 1679/4885L3MBTL1 4783/4885RXRB 595/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A HTT 1679/4885L3MBTL1 4783/4885RXRB 595/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A HTT 1679/4885L3MBTL1 4783/4885RXRB 595/4885

“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.