SCHEMBL17100583

SCHEMBL17100583

c1ccc(CN2CCN(c3nc(-c4ccccc4)no3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
KCNH2 Q12809 1/20 0.71
LMNA P02545 7/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ACHE P22303 1/20 0.55
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
MAPK1 P28482 1/20 0.52
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.51
DRD4 P21917 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL17100616 0.91 LMNA (0.67) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100655 0.88 MAPT (0.66) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100596 0.88 CYP2D6 (0.56) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100762 0.87 CYP2D6 (0.57) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100698 0.85 MAPT (0.59) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL31546323 0.84 MAPT (0.56) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100606 0.84 DRD2 (0.66) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100584 0.84 KDM4E (0.58) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100634 0.84 MAPT (0.65) CYP2D6KCNH2LMNAALDH1A1MAPT
SCHEMBL17100714 0.84 CYP2D6 (0.51) CYP2D6KCNH2LMNAALDH1A1MAPT

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 CYP2D6 739/4885KCNH2 4581/4885LMNA 760/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 873/4885KCNH2 4624/4885LMNA 748/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT CYP2D6 739/4885KCNH2 4581/4885LMNA 760/4885

“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.