SCHEMBL2003871

SCHEMBL2003871

CC1CN(c2nc(Cc3ccc(F)cc3)ns2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.39
GRM2 Q14416 2/20 0.38
HTR6 P50406 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTNNB1 P35222 4/20 0.37
TCF7L2 Q9NQB0 4/20 0.37
NPY5R Q15761 1/20 0.36
MLNR O43193 6/20 0.36
PRKCI P41743 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL1019878 0.89 CNR1 (0.42) HTR6CTNNB1TCF7L2PRKCIHTR2C
SCHEMBL2012804 0.88 CETP (0.44) HTR6PRKCIHTR2CHTR2B
SCHEMBL2006897 0.88 KHK (0.41) CSNK1EHTR6XIAPBIRC2HRH3
SCHEMBL2004219 0.86 HTR6 (0.42) CSNK1EHTR6HRH3MLNRHTR2C
SCHEMBL2005763 0.86 HTR6 (0.40) HTR6BIRC2HRH3NPY5RPRKCI
SCHEMBL2014364 0.85 SOS1 (0.39) CTNNB1TCF7L2PRKCI
SCHEMBL3051059 0.83 CNR1 (0.39) HTR6CTNNB1TCF7L2NPY5RMLNR
SCHEMBL1021015 0.82 HTR2B (0.44) HTR6HTR2CHTR2B
SCHEMBL4686031 0.82 CNR1 (0.41) HTR6CTNNB1TCF7L2HTR2CHTR2B
SCHEMBL2006211 0.81 SIGMAR1 (0.38) GRM2HTR6XIAPBIRC2NPY5R

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 11 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
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
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 CSNK1E 3671/4885GRM2 2700/4885HTR6 2304/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CSNK1E 3671/4885GRM2 2700/4885HTR6 2304/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CSNK1E 3671/4885GRM2 2700/4885HTR6 2304/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CSNK1E 2139/4885GRM2 1523/4885HTR6 2082/4885

“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.