SCHEMBL2011744

SCHEMBL2011744

Cc1ccc(Cc2nsc(N3CCCNCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CXCR4 P61073 1/20 0.45
HTR2B P41595 4/20 0.43
HTR6 P50406 3/20 0.43
HTR3A P46098 2/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR7 P34969 2/20 0.43
HTR2A P28223 2/20 0.43
ADRB1 P08588 1/20 0.41
HTR2C P28335 2/20 0.41
CETP P11597 2/20 0.40
SOS1 Q07889 2/20 0.40
DPP4 P27487 1/20 0.38
NCF1 P14598 1/20 0.38
POLB P06746 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
PRKCI P41743 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL3059952 0.95 CNR1 (0.48) CNR1CXCR4HTR2BHTR6HTR3A
SCHEMBL3059021 0.93 CNR1 (0.45) CNR1CXCR4HTR2BHTR6HTR3A
SCHEMBL3063833 0.88 CNR1 (0.43) CNR1CXCR4HTR2BHTR6HTR3A
SCHEMBL2013483 0.88 CETP (0.54) CNR1CXCR4HTR2BHTR6HTR3A
SCHEMBL2008248 0.88 HTR2B (0.43) CNR1HTR2BHTR6HTR3AHTR1A
SCHEMBL2005372 0.87 CETP (0.47) CNR1HTR2BHTR6HTR3AHTR1A
SCHEMBL2004188 0.87 HTR3A (0.46) CNR1HTR2BHTR6HTR3AHTR1A
SCHEMBL2005415 0.86 HTR2C (0.45) CNR1HTR2BHTR6HTR3AHTR1A
SCHEMBL2007838 0.84 SOS1 (0.47) CNR1CETPSOS1NCF1
SCHEMBL2002640 0.82 CETP (0.59) HTR2BHTR6HTR3AHTR1AHTR7

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 CNR1 3094/4885CXCR4 3145/4885HTR2B 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.