SCHEMBL17100729

SCHEMBL17100729

Clc1ccc(Cc2noc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
PKM P14618 1/20 0.53
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 3/20 0.52
HTR1A P08908 2/20 0.52
CYP1A2 P05177 2/20 0.52
ADRA2A P08913 2/20 0.52
CYP2D6 P10635 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
CYP2C19 P33261 2/20 0.52
ADRA1A P35348 2/20 0.52
DRD3 P35462 2/20 0.52
KCNH2 Q12809 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL17100612 1.00 HTT (0.55) HTTPKMMAPK1CYP3A4HTR1A
SCHEMBL17100602 0.91 CYP2D6 (0.56) MAPK1CYP3A4HTR1ACYP1A2ADRA2A
SCHEMBL17100819 0.82 MAPT (0.47) HTTMAPK1MEN1KMT2ALMNA
SCHEMBL17100651 0.81 SMN1; SMN2 (0.46) HTTMAPK1DRD3MEN1DRD2
SCHEMBL17100743 0.81 ALDH1A1 (0.56) HTTKMT2ALMNAKDM4EMAPT
SCHEMBL11518394 0.80 MEN1 (0.58) MAPK1CYP3A4HTR1ACYP1A2ADRA2A
SCHEMBL17100749 0.79 L3MBTL1 (0.43) HTTMAPK1HTR1AADRA1ADRD3
SCHEMBL17100670 0.79 L3MBTL1 (0.43) HTTMAPK1HTR1AADRA1ADRD3
SCHEMBL17100793 0.79 HTR6 (0.45) HTTMAPK1DRD3MEN1DRD2
SCHEMBL18177903 0.78 KDM4E (0.76) HTTPKMMAPK1CYP3A4HTR1A

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 14 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-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-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
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 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
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 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 (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 HTT 9/4885PKM 362/4885MAPK1 1814/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTT 8/4885PKM 354/4885MAPK1 1833/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTT 9/4885PKM 362/4885MAPK1 1814/4885

“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.