SCHEMBL17100722

SCHEMBL17100722

FC(F)(F)Cc1noc(N2CCN(CCc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.41
DRD3 P35462 4/20 0.41
DRD2 P14416 3/20 0.41
TMEM97 Q5BJF2 3/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
OPRL1 P41146 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ABCC1 P33527 1/20 0.39
HTR2C P28335 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17100619 0.90 OPRL1 (0.41) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100749 0.85 L3MBTL1 (0.43) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100670 0.85 L3MBTL1 (0.43) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL18639406 0.84 DRD2 (0.52) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100613 0.81 ABCC1 (0.42) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100839 0.80 DRD2 (0.40) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100856 0.80 DRD2 (0.40) SIGMAR1HTR1AHTR2ADRD3DRD2
SCHEMBL17100580 0.78 MAPT (0.52) DRD3DRD2ADRA1DADRA1AADRA1B
SCHEMBL17100855 0.78 STAT3 (0.50) ADRA1DADRA1AADRA1BALDH1A1CYP1A2
SCHEMBL17100790 0.78 SIGMAR1 (0.58) SIGMAR1HTR1ADRD2ADRA1DADRA1A

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 SIGMAR1 1261/4885HTR1A 1856/4885HTR2A 2853/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1288/4885HTR1A 1955/4885HTR2A 2940/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1261/4885HTR1A 1856/4885HTR2A 2853/4885

“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.