SCHEMBL2004188

SCHEMBL2004188

COc1ccc(Cc2nsc(N3CCCNCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.46
HTR1A P08908 5/20 0.46
HTR7 P34969 4/20 0.46
HTR2B P41595 3/20 0.46
HTR1D P28221 2/20 0.46
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
ADRB1 P08588 2/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPY5R Q15761 1/20 0.41
HTR6 P50406 2/20 0.41
HTR1B P28222 2/20 0.39
CNR1 P21554 1/20 0.39
CETP P11597 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
SCHEMBL2011584 0.95 HTR3A (0.49) HTR3AHTR1AHTR7HTR2BHTR1D
SCHEMBL3059021 0.88 CNR1 (0.45) HTR3AHTR1AHTR7HTR2BHTR1D
SCHEMBL2011744 0.87 CNR1 (0.49) HTR3AHTR1AHTR7HTR2BHTR1D
SCHEMBL2008345 0.87 ADRB1 (0.47) HTR3AHTR1AHTR7HTR2BCHRNB2
SCHEMBL2008248 0.84 HTR2B (0.43) HTR3AHTR1AHTR7HTR2BHTR1D
SCHEMBL2013483 0.84 CETP (0.54) HTR3AHTR1AHTR7HTR2BHTR1D
SCHEMBL2005372 0.84 CETP (0.47) HTR3AHTR1AHTR7HTR2BCHRNB2
SCHEMBL3063833 0.82 CNR1 (0.43) HTR3AHTR2BADRB1HTR6CNR1
SCHEMBL1022439 0.81 ADRB1 (0.51) HTR3AHTR1AHTR7HTR2BADRB1
SCHEMBL3059952 0.81 CNR1 (0.48) HTR3AHTR1AHTR7HTR2BHTR1D

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 HTR3A 545/4885HTR1A 1133/4885HTR7 2114/4885

“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.