SCHEMBL13867221

SCHEMBL13867221

COC(OC)c1nn(Cc2ccccc2)c2c1CSCC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KCNK3 O14649 1/20 0.34
STAT3 P40763 1/20 0.34
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL182557 0.83 MEN1 (0.43) HTR7HTR1AHTR2APDE4APDE4B
SCHEMBL13867220 0.80 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3885212 0.74 HPGD (0.43) HTR7HTR1AHTR2AALDH1A1TSHR
SCHEMBL3888189 0.74 HTR7 (0.39) HTR7HTR1AHTR2AALDH1A1KCNK3
SCHEMBL4709881 0.70 POLB (0.39) TSHRHDAC10HDAC6MEN1KMT2A
SCHEMBL13866926 0.70 MEN1 (0.46) ALDH1A1HDAC10HDAC6MEN1KMT2A
SCHEMBL20866265 0.68 LMNA (0.44) HTR7HTR1AHTR2APDE4APDE4B
SCHEMBL13866989 0.67 TDP1 (0.44) ALDH1A1MEN1KMT2APOLB
SCHEMBL13866990 0.67 TDP1 (0.44) ALDH1A1MEN1KMT2APOLB
SCHEMBL4710554 0.67 CNR2 (0.42) ALDH1A1HDAC10HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
US-7524964-B2 Tetrahydrothiopyrano pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-04-28 US disclosed
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US disclosed
US-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS LIOTTA FINA 2008-04-10 US 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-20080085899-A1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 HTR7 122/4885HTR1A 42/4885HTR2A 138/4885

“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.