SCHEMBL2006897

SCHEMBL2006897

CC1CN(c2nc(Cc3ccccc3)ns2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.41
PIN1 Q13526 1/20 0.39
CETP P11597 1/20 0.38
CSNK1E P49674 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
XIAP P98170 2/20 0.36
BIRC2 Q13490 2/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HTR2B P41595 2/20 0.35
CNR1 P21554 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL4686031 0.90 CNR1 (0.41) KHKPIN1CETPTAAR1HTR2C
SCHEMBL1019878 0.89 CNR1 (0.42) KHKPIN1HTR2CHTR6HTR2B
SCHEMBL2003871 0.88 CSNK1E (0.39) CSNK1EXIAPBIRC2HTR2CHRH3
SCHEMBL2012804 0.88 CETP (0.44) KHKCETPHTR2CHTR6HRH4
SCHEMBL2005108 0.87 HTR6 (0.41) KHKPIN1HTR2CHRH3HTR6
SCHEMBL2004219 0.86 HTR6 (0.42) KHKCSNK1EHTR2CHTR2AHRH3
SCHEMBL2005763 0.86 HTR6 (0.40) PIN1CETPBIRC2HRH3HTR6
SCHEMBL2005739 0.84 HTR6 (0.44) PIN1HTR6SIGMAR1
SCHEMBL2008870 0.84 HTR6 (0.39) KHKPIN1CSNK1EHTR2CHTR6
SCHEMBL2007117 0.83 HTR6 (0.40) KHKPIN1CSNK1EHTR2CHTR6

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 8 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
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
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
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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 KHK 1702/4885PIN1 1241/4885CETP 3916/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KHK 1702/4885PIN1 1241/4885CETP 3916/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KHK 1702/4885PIN1 1241/4885CETP 3916/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP KHK 1689/4885PIN1 3325/4885CETP 4201/4885

“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.