SCHEMBL17100725

SCHEMBL17100725

Clc1ccc(Cc2noc(N3CCN(CCN4CCOCC4)CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CETP P11597 1/20 0.43
HTR6 P50406 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL17100793 0.89 HTR6 (0.45) NPC1RAB9AALDH1A1CETPHTR6
SCHEMBL17100670 0.89 L3MBTL1 (0.43) NPC1RAB9ACETPHTR6HTT
SCHEMBL17100749 0.89 L3MBTL1 (0.43) NPC1RAB9ACETPHTR6HTT
SCHEMBL17100590 0.86 MEN1 (0.49) NPC1RAB9ACETPHTR6KMT2A
SCHEMBL21905673 0.84 MAPT (0.53) NPC1RAB9AALDH1A1HTR6KMT2A
SCHEMBL17100774 0.84 ALDH1A1 (0.44) NPC1RAB9AALDH1A1CETPHTR6
SCHEMBL17100819 0.83 MAPT (0.47) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL17100706 0.82 MAPT (0.41) RAB9AALDH1A1HTR6MAPTMAPK1
SCHEMBL17100856 0.82 DRD2 (0.40) NPC1RAB9ACETPHTR6HTT
SCHEMBL17100839 0.82 DRD2 (0.40) NPC1RAB9ACETPHTR6HTT

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 11 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
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 NPC1 1192/4885RAB9A 3737/4885ALDH1A1 482/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPC1 1323/4885RAB9A 3719/4885ALDH1A1 561/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPC1 1192/4885RAB9A 3737/4885ALDH1A1 482/4885

“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.