SCHEMBL21853533

SCHEMBL21853533

c1ncc(CN2CCOCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
CXCR4 P61073 1/20 0.47
NCF1 P14598 1/20 0.46
AURKA O14965 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
KCNJ1 P48048 1/20 0.44
PRMT6 Q96LA8 1/20 0.42
HTT P42858 2/20 0.42
CYP2A13 Q16696 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
NOS3 P29474 1/20 0.41

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
SCHEMBL3172320 0.79 CHRNB2 (0.58) HRH3SMN1; SMN2ALDH1A1HTTCHRNB2
SCHEMBL20836288 0.78 HRH3 (0.53) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL4970159 0.78 CHRNB2 (0.72) HRH3CXCR4NCF1ALDH1A1MAPT
SCHEMBL15260468 0.77 HRH3 (0.56) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL14606256 0.77 HRH3 (0.52) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL14514820 0.77 MAPT (0.49) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL18427235 0.77 HRH3 (0.47) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL15366942 0.77 HRH3 (0.47) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL465728 0.77 NCF1 (0.47) HRH3SMN1; SMN2CXCR4NCF1ALDH1A1
SCHEMBL12241726 0.77 CYP11B2 (0.53) HRH3SMN1; SMN2CXCR4NCF1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112888684-B 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-10-10 CN disclosed
CN-112888684-B 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-10-10 CN disclosed
CN-112888684-B 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2023-10-10 CN disclosed
EP-3867245-B1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2022-12-07 EP disclosed
EP-3867245-B1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2022-12-07 EP disclosed
CN-112888684-A 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-01 CN disclosed
CN-112888684-A 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-01 CN disclosed
CN-112888684-A 4-pyrimidin-5-ylmethyl-morpholine derivatives and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-01 CN disclosed
US-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
US-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
US-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079040-A1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed
WO-2020079040-A1 4-PYRIMIDIN-5-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 (1 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-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2C, GRIN2A, GRIN3A HRH3 578/4885SMN1; SMN2 1214/4885CXCR4 1484/4885

“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.