SCHEMBL11517836

SCHEMBL11517836

Cc1noc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
DRD4 P21917 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
NFKB1 P19838 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL11518394 0.94 MEN1 (0.58) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL17100737 0.79 ALDH1A1 (0.55) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL11517986 0.79 CYP2D6 (0.54) CYP2D6DRD2DRD3DRD4MEN1
SCHEMBL17100584 0.76 KDM4E (0.58) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL17100602 0.75 CYP2D6 (0.56) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL11520225 0.75 CYP2D6 (0.55) CYP2D6DRD2DRD3DRD4MEN1
SCHEMBL23652830 0.74 MEN1 (0.85) CYP2D6DRD2DRD3DRD4MEN1
SCHEMBL17100612 0.74 HTT (0.55) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL17100729 0.74 HTT (0.55) CYP2D6DRD2DRD3MEN1KMT2A
SCHEMBL17100770 0.74 POLB (0.64) CYP2D6DRD2DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US claimed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US claimed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP claimed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO claimed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
US-4177272-A HYPOTENSIVE, VASODILATION, PARKINSON'S DISEASE SCIENCE UNION ET CIE (FR) 1979-12-04 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 (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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT CYP2D6 739/4885DRD2 1401/4885DRD3 789/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 873/4885DRD2 1449/4885DRD3 837/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 739/4885DRD2 1401/4885DRD3 789/4885

“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.