SCHEMBL14488129

SCHEMBL14488129

Fc1ccc(CCN2CCN(c3nc(-c4cncc(Cl)c4)ns3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
SIGMAR1 Q99720 4/20 0.42
DRD3 P35462 4/20 0.42
HTR2A P28223 4/20 0.42
HTR1A P08908 3/20 0.42
TMEM97 Q5BJF2 3/20 0.42
HTR2C P28335 2/20 0.42
DRD4 P21917 2/20 0.42
HTR7 P34969 1/20 0.42
FAAH O00519 6/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HRH1 P35367 2/20 0.39
CYP2C9 P11712 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL14486671 0.93 FAAH (0.43) DRD2SIGMAR1DRD3HTR2AHTR1A
SCHEMBL14488350 0.91 ABCC1 (0.41) HTR1AHTR7FAAHCYP2C9
SCHEMBL14486386 0.90 SIGMAR1 (0.46) DRD2SIGMAR1DRD3HTR1ADRD4
SCHEMBL14486771 0.89 CNR2 (0.45) DRD2SIGMAR1HTR2AHTR1AHTR2C
SCHEMBL14486323 0.87 SIGMAR1 (0.47) SIGMAR1HTR1AFAAHADRA1DADRA1A
SCHEMBL14486342 0.87 FAAH (0.48) DRD2SIGMAR1DRD3HTR2AHTR1A
SCHEMBL14486079 0.86 HTR1A (0.50) DRD2SIGMAR1DRD3HTR2AHTR1A
SCHEMBL14488303 0.84 HTR1A (0.46) DRD2SIGMAR1DRD3HTR2AHTR1A
SCHEMBL14486057 0.83 FAAH (0.46) DRD2SIGMAR1DRD3HTR2AHTR1A
SCHEMBL14486569 0.83 HTR1A (0.46) DRD2SIGMAR1HTR2AHTR1AHTR2C

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-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
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

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 DRD2 3556/4885SIGMAR1 2467/4885DRD3 3768/4885

“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.