SCHEMBL17100860

SCHEMBL17100860

COc1cccc(CCN2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.57
▸ DRD2 P14416 2/20 0.57
▸ DRD4 P21917 2/20 0.57
▸ MAPT P10636 6/20 0.54
▸ GAA P10253 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HTR2B P41595 1/20 0.48

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
SCHEMBL17100893 0.91 SIGMAR1 (0.58) SIGMAR1MAPTHRH3HTR1ATP53
SCHEMBL21905668 0.90 MAPT (0.48) SIGMAR1DRD2DRD4MAPTGAA
SCHEMBL17100763 0.85 SIGMAR1 (0.56) SIGMAR1DRD2DRD4HRH3HTR1A
SCHEMBL17100673 0.84 ALDH1A1 (0.57) SIGMAR1DRD2DRD4MAPTGAA
SCHEMBL17100681 0.83 MAPT (0.53) MAPTGAATHRBTP53NPC1
SCHEMBL17100580 0.83 MAPT (0.52) DRD2DRD4MAPTGAATHRB
SCHEMBL17100747 0.82 SIGMAR1 (0.56) SIGMAR1DRD2DRD4MAPTHRH3
SCHEMBL14486630 0.82 SIGMAR1 (0.56) SIGMAR1DRD2DRD4MAPTHRH3
SCHEMBL17100809 0.80 ALDH1A1 (0.54) SIGMAR1DRD2DRD4MAPTGAA
SCHEMBL17100698 0.80 MAPT (0.59) SIGMAR1DRD2DRD4MAPTGAA

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 1261/4885DRD2 1401/4885DRD4 1514/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1288/4885DRD2 1449/4885DRD4 1557/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1261/4885DRD2 1401/4885DRD4 1514/4885

“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.

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