SCHEMBL17100581

SCHEMBL17100581

Brc1ccc(-c2noc(N3CCN(CCc4ccccc4)CC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
S1PR1 P21453 1/20 0.43

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
SCHEMBL17100637 0.88 CXCR1 (0.46) HTR1ADRD2KCNH2LMNATSHR
SCHEMBL17100673 0.88 ALDH1A1 (0.57) HTR1ADRD2CYP2D6KCNH2ALDH1A1
SCHEMBL17100809 0.83 ALDH1A1 (0.54) HTR1ADRD2CYP2D6KCNH2ALDH1A1
SCHEMBL17100791 0.83 S1PR1 (0.49) LMNAMAPTTSHRS1PR1
SCHEMBL17100580 0.81 MAPT (0.52) DRD2CYP2D6ALDH1A1LMNAMAPT
SCHEMBL17100583 0.80 CYP2D6 (0.71) DRD2CYP2D6KCNH2ALDH1A1LMNA
SCHEMBL17100669 0.77 CYP2D6 (0.49) CYP2D6KCNH2ALDH1A1LMNAMAPT
SCHEMBL17100759 0.75 MAPT (0.51) HTR1ADRD2CYP2D6KCNH2ALDH1A1
SCHEMBL17100655 0.74 MAPT (0.66) NR1H4CYP2D6KCNH2ALDH1A1LMNA
SCHEMBL17100855 0.74 STAT3 (0.50) CYP2D6KCNH2ALDH1A1LMNAMAPT

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 9 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

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 HTR1A 1856/4885DRD2 1401/4885NR1H4 1901/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTR1A 1955/4885DRD2 1449/4885NR1H4 2118/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HTR1A 1856/4885DRD2 1401/4885NR1H4 1901/4885

“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.