SCHEMBL2007342

SCHEMBL2007342

COc1ccccc1Cc1nsc(N2CCN(CCN)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
SIGMAR1 Q99720 3/20 0.47
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 1/20 0.42
DRD2 P14416 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD3 P35462 1/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR7 P34969 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL2009386 0.85 HTR6 (0.47) HTR6SIGMAR1HRH3KDM4EALDH1A1
SCHEMBL2006496 0.84 HTR6 (0.47) HTR6SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL2006517 0.81 HTR6 (0.48) HTR6SIGMAR1KCNH2DRD2DRD3
SCHEMBL2002360 0.80 SIGMAR1 (0.48) HTR6SIGMAR1DRD2ALDH1A1KMT2A
SCHEMBL2007339 0.80 HTR6 (0.48) HTR6SIGMAR1HRH3DRD2KMT2A
SCHEMBL2003762 0.78 HTR7 (0.45) HTR6SIGMAR1KCNH2DRD2DRD3
SCHEMBL2007843 0.75 CNR1 (0.47) HTR6SIGMAR1HRH3ALDH1A1HTR2A
SCHEMBL2006334 0.75 HTR6 (0.44) HTR6SIGMAR1DRD2KDM4EDRD3
SCHEMBL12569061 0.75 TP53 (0.57) KDM4EALDH1A1KMT2ALMNA
SCHEMBL2005103 0.75 HTR6 (0.42) HTR6SIGMAR1HRH3DRD2DRD3

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 2082/4885SIGMAR1 1998/4885KCNH2 4601/4885

“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.