SCHEMBL21852846

SCHEMBL21852846

c1cc(CC2CNCCO2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 7/20 0.41
HTR2A P28223 4/20 0.41
HTR2B P41595 2/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP19A1 P11511 1/20 0.38
HRH1 P35367 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR3A P46098 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34

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
SCHEMBL1551876 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1551881 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL682819 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL659743 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1552999 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL27497409 0.81 CHRNB2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
Methane SCHEMBL27798790 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
Hydrochloric Acid SCHEMBL4772964 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL1481686 0.80 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2AHTR2B
SCHEMBL372608 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867508-B 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-09-15 CN disclosed
CN-112867508-B 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-09-15 CN disclosed
CN-112867508-B 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-09-15 CN disclosed
EP-3866854-B1 4-PYRIDINYLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2022-08-10 EP disclosed
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
CN-112867508-A 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-05-28 CN disclosed
CN-112867508-A 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-05-28 CN disclosed
CN-112867508-A 4-pyridylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-05-28 CN 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
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
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
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 SLC6A2 2044/4885SLC6A4 826/4885SLC6A3 2187/4885
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament GRIN2A, GRIN2C, GRIN3A SLC6A2 2044/4885SLC6A4 826/4885SLC6A3 2187/4885

“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.