SCHEMBL3059952

SCHEMBL3059952

Cc1ccc(Cc2nsc(N3CCNCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
ADRB1 P08588 1/20 0.45
HTR2B P41595 3/20 0.44
HTR2C P28335 2/20 0.44
HTR3A P46098 2/20 0.43
CETP P11597 2/20 0.43
SOS1 Q07889 1/20 0.43
HTR6 P50406 3/20 0.40
DPP4 P27487 1/20 0.40
CXCR4 P61073 1/20 0.40
POLB P06746 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR2A P28223 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL2011744 0.95 CNR1 (0.49) CNR1ADRB1HTR2BHTR2CHTR3A
SCHEMBL3063833 0.93 CNR1 (0.43) CNR1ADRB1HTR2BHTR2CHTR3A
SCHEMBL3059021 0.89 CNR1 (0.45) CNR1ADRB1HTR2BHTR2CHTR3A
SCHEMBL1021015 0.86 HTR2B (0.44) HTR2BHTR2CHTR3ACETPSOS1
SCHEMBL2002640 0.86 CETP (0.59) ADRB1HTR2BHTR2CHTR3ACETP
SCHEMBL2007325 0.86 TAAR1 (0.51) ADRB1HTR2BHTR2CHTR3ACETP
SCHEMBL4686031 0.86 CNR1 (0.41) CNR1ADRB1HTR2BHTR2CHTR3A
SCHEMBL2011584 0.85 HTR3A (0.49) ADRB1HTR2BHTR3ACETPHTR6
SCHEMBL2009116 0.84 HTR2C (0.48) CNR1ADRB1HTR2BHTR2CHTR3A
SCHEMBL1019878 0.83 CNR1 (0.42) CNR1HTR2BHTR2CHTR3AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
CN-101378757-A Thiadiazole derivatives for the treatment of neuro degenerative diseases REMYND NV (BE) 2009-03-04 CN disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885ADRB1 395/4885HTR2B 981/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885ADRB1 395/4885HTR2B 981/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885ADRB1 395/4885HTR2B 981/4885

“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.