SCHEMBL17100718

SCHEMBL17100718

COc1cccc(CCN2CCN(c3nc(Cc4cccc(F)c4)no3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
HRH3 Q9Y5N1 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
HTR2B P41595 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NMT1 P30419 1/20 0.45

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
SCHEMBL17100717 0.91 SIGMAR1 (0.54) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100783 0.90 SIGMAR1 (0.60) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100747 0.89 SIGMAR1 (0.56) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100763 0.86 SIGMAR1 (0.56) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100721 0.84 SIGMAR1 (0.58) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100790 0.84 SIGMAR1 (0.58) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL21973923 0.79 KMT2A (0.43) HTR1AMAPTLMNAKMT2AHTR6
SCHEMBL17100750 0.79 SIGMAR1 (0.53) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100618 0.79 SIGMAR1 (0.53) SIGMAR1HRH3HTR1AADRA1DADRA1A
SCHEMBL17100660 0.79 ALDH1A1 (0.57) MAPTLMNAKMT2A

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 12 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-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 SIGMAR1 1261/4885HRH3 2440/4885HTR1A 1856/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1288/4885HRH3 2600/4885HTR1A 1955/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT SIGMAR1 1261/4885HRH3 2440/4885HTR1A 1856/4885

“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.