SCHEMBL17100747

SCHEMBL17100747

COc1cccc(CCN2CCN(c3nc(Cc4cccc(Cl)c4)no3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
ALDH1A1 P00352 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A4 P31645 1/20 0.48
ABCB1 P08183 4/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
KCNH2 Q12809 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL17100763 0.92 SIGMAR1 (0.56) SIGMAR1ALDH1A1HRH3HTR1ADRD2
SCHEMBL17100783 0.90 SIGMAR1 (0.60) SIGMAR1HRH3HTR1ASLC6A4ADRA1D
SCHEMBL17100717 0.89 SIGMAR1 (0.54) SIGMAR1HRH3HTR1ADRD2DRD4
SCHEMBL17100718 0.89 SIGMAR1 (0.56) SIGMAR1HRH3HTR1AMAPTADRA1D
SCHEMBL17100790 0.82 SIGMAR1 (0.58) SIGMAR1HRH3HTR1ADRD2DRD4
SCHEMBL17100721 0.82 SIGMAR1 (0.58) SIGMAR1HRH3HTR1ADRD2DRD4
SCHEMBL17100860 0.82 SIGMAR1 (0.57) SIGMAR1HRH3HTR1ADRD2DRD4
SCHEMBL17101017 0.79 ALDH1A1 (0.61) ALDH1A1MAPTTSHR
SCHEMBL17100893 0.77 SIGMAR1 (0.58) SIGMAR1ALDH1A1HRH3HTR1AMAPT
SCHEMBL17100723 0.77 ALDH1A1 (0.51) SIGMAR1ALDH1A1MAPT

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
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

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 1261/4885ALDH1A1 482/4885HRH3 2440/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1288/4885ALDH1A1 561/4885HRH3 2600/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1261/4885ALDH1A1 482/4885HRH3 2440/4885

“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.