SCHEMBL8220769

SCHEMBL8220769

N/C(=N\O)C1(c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
HSD11B1 P28845 5/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
PLAU P00749 1/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRM1 P35372 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL17102004 1.00 MAOB (0.38) MAOBMAOAHSD11B1SLC6A3SLC22A2
SCHEMBL28842496 0.81 SLC22A2 (0.36) SLC22A2SLC22A1SLC22A3SIGMAR1OPRM1
SCHEMBL17115021 0.81 HSD11B1 (0.45) MAOBMAOAHSD11B1SLC6A3SLC22A2
SCHEMBL28842444 0.81 SLC22A2 (0.36) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL28842621 0.80 MAOA (0.43) MAOBMAOASLC6A3PLAUAPP
SCHEMBL876037 0.80 AKR1C1 (0.44) MAOBMAOAHSD11B1SLC22A2SLC22A1
SCHEMBL838361 0.80 AKR1C1 (0.44) MAOBMAOAHSD11B1SLC22A2SLC22A1
SCHEMBL31459729 0.79 KDM1A (0.45) HSD11B1SLC6A3SIGMAR1OPRM1
SCHEMBL21824468 0.77 CA1 (0.42) CYP2C19
SCHEMBL21824467 0.77 CA1 (0.42) CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-3119782-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140132-A1 2,7-DIAZASPIRO[3.5]NONANE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 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 MAOB 863/4885MAOA 1423/4885HSD11B1 528/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MAOB 1013/4885MAOA 1602/4885HSD11B1 648/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT MAOB 863/4885MAOA 1423/4885HSD11B1 528/4885

“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.