SCHEMBL2006334

SCHEMBL2006334

NCCN1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
HTR1A P08908 6/20 0.38
DRD2 P14416 6/20 0.38
HTR2A P28223 6/20 0.38
DRD3 P35462 6/20 0.38
DRD1 P21728 4/20 0.38
DRD5 P21918 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DRD4 P21917 5/20 0.36
HTR7 P34969 4/20 0.36
ADRA2C P18825 1/20 0.36
HRH1 P35367 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36

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
SCHEMBL2007020 0.88 HTR6 (0.44) HTR6HTR1ADRD2HTR2ADRD3
SCHEMBL2007843 0.88 CNR1 (0.47) HTR6HTR2ASIGMAR1CNR1HTR2C
SCHEMBL2002360 0.87 SIGMAR1 (0.48) HTR6HTR1ADRD2SIGMAR1CNR1
SCHEMBL2005298 0.86 HTR6 (0.48) HTR6DRD2DRD3SIGMAR1DRD4
SCHEMBL2011056 0.85 ALDH1A1 (0.42) HTR6SIGMAR1CNR1DRD4TMEM97
SCHEMBL2007339 0.84 HTR6 (0.48) HTR6DRD2HTR2ASIGMAR1HTR2C
SCHEMBL2012179 0.81 KDM4E (0.50) HTR1AHTR2ASIGMAR1GAAKDM4E
SCHEMBL2006496 0.81 HTR6 (0.47) HTR6SIGMAR1KDM4E
SCHEMBL13088418 0.81 NPY5R (0.44) HTR6CYP1A2CNR1SMN1; SMN2
SCHEMBL2008538 0.80 LMNA (0.45) HTR6DRD2DRD3KDM4EDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
CN-101378757-B Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV 2012-08-01 CN disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
CN-101378757-A Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV (BE) 2009-03-04 CN disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885HTR1A 561/4885DRD2 147/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885HTR1A 561/4885DRD2 147/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885HTR1A 561/4885DRD2 147/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR6 2082/4885HTR1A 1133/4885DRD2 485/4885

“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.