SCHEMBL17100749

SCHEMBL17100749

Clc1ccc(CCN2CCN(c3nc(Cc4ccc(Cl)cc4)no3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR6 P50406 1/20 0.43
OPRL1 P41146 1/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
MAPK1 P28482 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
GRM2 Q14416 1/20 0.41
ERCC1 P07992 1/20 0.41

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
SCHEMBL17100670 1.00 L3MBTL1 (0.43) L3MBTL1ADRA1DADRA1AADRA1BHTR6
SCHEMBL17100793 0.90 HTR6 (0.45) L3MBTL1HTR6NPC1HTTRAB9A
SCHEMBL17100613 0.90 ABCC1 (0.42) ADRA1DADRA1AADRA1BOPRL1RAB9A
SCHEMBL17100725 0.89 NPC1 (0.43) L3MBTL1HTR6NPC1HTTRAB9A
SCHEMBL17100964 0.86 OPRL1 (0.43) L3MBTL1ADRA1DADRA1AADRA1BOPRL1
SCHEMBL18639406 0.85 DRD2 (0.52) ADRA1DADRA1AADRA1BOPRL1SIGMAR1
SCHEMBL17100722 0.85 SIGMAR1 (0.41) ADRA1DADRA1AADRA1BOPRL1SIGMAR1
SCHEMBL21905673 0.85 MAPT (0.53) L3MBTL1HTR6NPC1HTTRAB9A
SCHEMBL17100774 0.85 ALDH1A1 (0.44) L3MBTL1HTR6NPC1HTTRAB9A
SCHEMBL17100959 0.85 RAB9A (0.45) L3MBTL1HTR6RAB9AMAPK1HTR1A

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 L3MBTL1 37/4885ADRA1D 427/4885ADRA1A 1515/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT L3MBTL1 31/4885ADRA1D 517/4885ADRA1A 1691/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT L3MBTL1 37/4885ADRA1D 427/4885ADRA1A 1515/4885

“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.