SCHEMBL21902116

SCHEMBL21902116

CNC(=O)[C@@H]1CN(Cc2ccc(Oc3c(C)cccc3F)nc2)CCO1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.81
RXRB P28702 7/20 0.79

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
SCHEMBL21902106 0.95 GRIN2B (0.80) GRIN2BRXRB
SCHEMBL21902081 0.90 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL24892978 0.88 RXRB (1.00) GRIN2BRXRB
SCHEMBL21906399 0.88 RXRB (1.00) GRIN2BRXRB
SCHEMBL21902102 0.87 GRIN2B (0.80) GRIN2BRXRB
SCHEMBL21941011 0.87 GRIN2B (0.80) GRIN2BRXRB
SCHEMBL21903004 0.84 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL24713396 0.84 GRIN2B (1.00) GRIN2BRXRB
SCHEMBL21902117 0.83 GRIN2B (0.80) GRIN2BRXRB
SCHEMBL21902115 0.83 GRIN2B (0.80) GRIN2BRXRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079042-A1 4-PYRIDINYLMETHYL-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 (2 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-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A GRIN2B 5/4885RXRB 519/4885
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament GRIN2A, GRIN2C, GRIN3A GRIN2B 5/4885RXRB 519/4885

“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.