SCHEMBL17099348

SCHEMBL17099348

O=C(C1CN(Cc2cccc(Oc3ccccc3)c2)CCO1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
GRIN2B Q13224 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.50
FAAH O00519 2/20 0.49
CCR8 P51685 4/20 0.48
HRH3 Q9Y5N1 3/20 0.48
MGLL Q99685 1/20 0.48
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL17048459 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL13176328 0.87 CYP2C19 (0.51) KDM4EALDH1A1HPGDHTTGRIN2B
Hydrochloric Acid SCHEMBL2907770 0.86 CYP2C19 (0.50) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL17048422 0.82 CCR8 (0.66) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL17108223 0.82 CCR8 (0.68) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL17099378 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL17055902 0.79 GRIN2B (0.56) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL15635444 0.77 CCR8 (0.56) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL17108225 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDHTTGRIN2B
SCHEMBL13779975 0.76 TSHR (0.50) KDM4EALDH1A1HPGDGRIN2BLMNA

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 20 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
EP-3867245-B1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2022-12-07 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-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-2020079040-A1 4-PYRIMIDIN-5-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO 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-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
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US 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 (9 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A KDM4E 559/4885ALDH1A1 1678/4885HPGD 2006/4885
US-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A KDM4E 644/4885ALDH1A1 1285/4885HPGD 2599/4885
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament GRIN2A, GRIN2C, GRIN3A KDM4E 559/4885ALDH1A1 1678/4885HPGD 2006/4885
US-20200123140-A1 4-Pyrimidin-5-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2C, GRIN2A, GRIN3A KDM4E 507/4885ALDH1A1 901/4885HPGD 2683/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A KDM4E 644/4885ALDH1A1 1285/4885HPGD 2599/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A KDM4E 2066/4885ALDH1A1 3556/4885HPGD 1110/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A KDM4E 644/4885ALDH1A1 1285/4885HPGD 2599/4885

“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.