SCHEMBL21906362

SCHEMBL21906362

OCc1cnc(Oc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
LTA4H P09960 4/20 0.44
RXRB P28702 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
RECQL P46063 1/20 0.38
LOX P28300 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL21906692 0.83 L3MBTL1 (0.50) ALDH1A1HTTRXRBMMP13SMN1; SMN2
SCHEMBL21906357 0.83 HTT (0.47) ALDH1A1HTTLTA4HRXRBHAO1
SCHEMBL21906358 0.83 NPC1 (0.50) ALDH1A1HTTRXRBMMP13NPC1
SCHEMBL21907349 0.77 HTT (0.53) ALDH1A1HTTRXRBNPC1RAB9A
SCHEMBL21906693 0.77 MEN1 (0.53) ALDH1A1HTTRXRBL3MBTL1
SCHEMBL510514 0.76 LTA4H (0.55) LTA4HTSHRSMN1; SMN2
SCHEMBL510046 0.75 LTA4H (0.58) ALDH1A1HTTLTA4HLOXL2ADAMTS4
SCHEMBL21906507 0.75 RXRB (0.46) RXRBTSHRSMN1; SMN2
SCHEMBL21906535 0.73 RXRB (0.40) ALDH1A1HTTRXRBHAO1LOXL2
SCHEMBL2893839 0.73 F2 (0.46) ALDH1A1HTTLTA4HHAO1TSHR

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 ALDH1A1 1285/4885HTT 1679/4885LTA4H 2528/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1285/4885HTT 1679/4885LTA4H 2528/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1285/4885HTT 1679/4885LTA4H 2528/4885

“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.