SCHEMBL21906517

SCHEMBL21906517

CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3)cn2)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RXRB P28702 16/20 1.00
GRIN2B Q13224 4/20 0.70

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
SCHEMBL21906525 1.00 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906518 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906536 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL24892989 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906523 0.92 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906529 0.91 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906522 0.87 RXRB (1.00) RXRBGRIN2B
SCHEMBL21906521 0.87 RXRB (1.00) RXRBGRIN2B
SCHEMBL21902096 0.87 GRIN2B (0.79) RXRBGRIN2B
SCHEMBL21906510 0.86 RXRB (1.00) RXRBGRIN2B

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 595/4885GRIN2B 4/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885GRIN2B 4/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885GRIN2B 4/4885

“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.