SCHEMBL2881815

SCHEMBL2881815

CC(C)S(=O)(=O)N1C[C@H]2CN(c3nc4cc(-c5ccccc5)ccc4[nH]3)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.40
PDE10A Q9Y233 2/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NPY5R Q15761 1/20 0.37
TRPC3 Q13507 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36

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
SCHEMBL2886640 1.00 HTR2B (0.40) HTR2BPDE10AHCRTR1HCRTR2NPY5R
SCHEMBL2881817 0.92 NPY5R (0.46) PDE10ANPY5R
SCHEMBL2886811 0.91 HTR2B (0.41) HTR2BPDE10ANPY5RTRPC3CACNB4
SCHEMBL2885063 0.91 HTR2B (0.41) HTR2BPDE10ANPY5RTRPC3CACNB4
SCHEMBL2878848 0.87 HTR2B (0.48) HTR2BNPY5RTRPC3
SCHEMBL2885065 0.82 NPY5R (0.46) HTR2BPDE10ANPY5R
Hydrochloric Acid SCHEMBL2885606 0.78 PDE10A (0.45) HTR2BPDE10ANPY5RTRPC3
Hydrochloric Acid SCHEMBL2885610 0.78 PDE10A (0.45) HTR2BPDE10ANPY5RTRPC3
SCHEMBL2878853 0.78 NPY5R (0.52) HTR2BNPY5R
SCHEMBL2885219 0.76 BACE1 (0.46) HTR2BPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US claimed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US claimed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP claimed
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R HTR2B 112/4885PDE10A 1048/4885HCRTR1 23/4885

“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.