SCHEMBL14486356

SCHEMBL14486356

COc1ccc(CCN2CCN(c3nc(-c4ccc(Cl)cn4)ns3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
HRH3 Q9Y5N1 1/20 0.44
ADRA1D P25100 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1B P35368 4/20 0.43
RAB9A P51151 1/20 0.42
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
FAAH O00519 1/20 0.40
METAP1 P53582 1/20 0.40
SMPD1 P17405 1/20 0.39
SOD1 P00441 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL14486933 0.91 SIGMAR1 (0.43) SIGMAR1ADRA1DADRA1AADRA1BRAB9A
SCHEMBL14486134 0.87 SIGMAR1 (0.45) SIGMAR1FAAHHTR1ADRD2DRD4
SCHEMBL14486421 0.86 SIGMAR1 (0.52) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486376 0.86 SIGMAR1 (0.47) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486516 0.83 ABCC1 (0.43) SIGMAR1RAB9AHTR1ADRD2DRD4
SCHEMBL14486428 0.83 SIGMAR1 (0.49) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486427 0.83 SIGMAR1 (0.51) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486458 0.82 SIGMAR1 (0.58) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486323 0.82 SIGMAR1 (0.47) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14488248 0.81 SIGMAR1 (0.59) SIGMAR1HRH3ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US claimed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP claimed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US claimed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP claimed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO claimed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 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 (1 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-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 SIGMAR1 2467/4885HRH3 3735/4885ADRA1D 2484/4885

“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.