SCHEMBL17100809

SCHEMBL17100809

Clc1ccc(CCN2CCN(c3nc(-c4ccccc4)no3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
FAAH O00519 1/20 0.45
HTR1A P08908 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
SCHEMBL17100673 0.95 ALDH1A1 (0.57) ALDH1A1MAPTLMNACYP2D6KCNH2
SCHEMBL17100580 0.94 MAPT (0.52) ALDH1A1MAPTLMNACYP2D6GAA
SCHEMBL17100696 0.90 MAPT (0.52) ALDH1A1MAPTLMNAKCNH2SIGMAR1
SCHEMBL17100785 0.87 MAPT (0.47) ALDH1A1MAPTLMNASIGMAR1GAA
SCHEMBL17100855 0.85 STAT3 (0.50) ALDH1A1MAPTLMNACYP2D6KCNH2
SCHEMBL17100759 0.84 MAPT (0.51) ALDH1A1MAPTLMNACYP2D6KCNH2
SCHEMBL17100581 0.83 HTR1A (0.48) ALDH1A1MAPTLMNACYP2D6KCNH2
SCHEMBL17100583 0.82 CYP2D6 (0.71) ALDH1A1MAPTLMNACYP2D6KCNH2
SCHEMBL17100860 0.80 SIGMAR1 (0.57) MAPTLMNASIGMAR1GAADRD4
SCHEMBL17100669 0.80 CYP2D6 (0.49) ALDH1A1MAPTLMNACYP2D6KCNH2

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 ALDH1A1 482/4885MAPT 3/4885LMNA 760/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 561/4885MAPT 3/4885LMNA 748/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT ALDH1A1 482/4885MAPT 3/4885LMNA 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.