SCHEMBL2013483

SCHEMBL2013483

Clc1ccc(Cc2nsc(N3CCCNCC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.54
HTR3A P46098 3/20 0.43
HTR2B P41595 2/20 0.43
HTR6 P50406 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR7 P34969 1/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
ADRB1 P08588 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR2C P28335 1/20 0.41
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SOS1 Q07889 2/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2002640 0.95 CETP (0.59) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2011744 0.88 CNR1 (0.49) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2008248 0.88 HTR2B (0.43) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2005372 0.87 CETP (0.47) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2004188 0.84 HTR3A (0.46) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL1021015 0.82 HTR2B (0.44) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL3059952 0.82 CNR1 (0.48) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2007838 0.82 SOS1 (0.47) CETPSOS1CNR1
SCHEMBL3059021 0.82 CNR1 (0.45) CETPHTR3AHTR2BHTR6HTR1A
SCHEMBL2007325 0.81 TAAR1 (0.51) CETPHTR3AHTR2BHTR6HTR1A

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 CETP 4201/4885HTR3A 545/4885HTR2B 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.