SCHEMBL2007117

SCHEMBL2007117

CC1CN(c2nc(Cc3ccccc3F)ns2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIN1 Q13526 1/20 0.35
KHK P50053 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PIM1 P11309 3/20 0.34
GSK3B P49841 2/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL2008870 0.87 HTR6 (0.39) HTR6HTR2CHTR2BPIN1KHK
SCHEMBL2005103 0.84 HTR6 (0.42) HTR6HTR2CGSK3B
SCHEMBL2006897 0.83 KHK (0.41) HTR6HTR2CHTR2BPIN1KHK
SCHEMBL2006686 0.83 HTR2B (0.46) HTR6HTR2CHTR2BPOLBNPSR1
SCHEMBL2012276 0.82 HTR6 (0.36) HTR6HTR2CHTR2BPOLBNPSR1
SCHEMBL3067141 0.82 MAPT (0.44) POLBPIN1ALDH1A1
SCHEMBL2003871 0.81 CSNK1E (0.39) HTR6HTR2CHTR2BCSNK1E
SCHEMBL2004219 0.80 HTR6 (0.42) HTR6HTR2CHTR2BPOLBKHK
SCHEMBL2014364 0.79 SOS1 (0.39) PIN1KHK
SCHEMBL2011983 0.79 HTR2B (0.43) HTR6HTR2CHTR2BPIM1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP 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 (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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR6 2082/4885HTR2C 1846/4885HTR2B 2061/4885

“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.