SCHEMBL2885063

SCHEMBL2885063

CC(C)S(=O)(=O)N1CC[C@@H]2CN(c3nc4cc(-c5ccccc5)ccc4[nH]3)C[C@@H]2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.41
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
TRPC3 Q13507 1/20 0.39
PDE10A Q9Y233 1/20 0.38
NPY5R Q15761 1/20 0.38
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37
CACNB2 Q08289 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
SCHEMBL2886811 1.00 HTR2B (0.41) HTR2BIKBKBCHUKTRPC3PDE10A
SCHEMBL2885065 0.92 NPY5R (0.46) HTR2BPDE10ANPY5R
SCHEMBL2886640 0.91 HTR2B (0.40) HTR2BTRPC3PDE10ANPY5RCACNB4
SCHEMBL2881815 0.91 HTR2B (0.40) HTR2BTRPC3PDE10ANPY5RCACNB4
SCHEMBL2878848 0.89 HTR2B (0.48) HTR2BTRPC3NPY5RMAPTMCHR1
SCHEMBL2881817 0.82 NPY5R (0.46) PDE10ANPY5R
SCHEMBL2878853 0.80 NPY5R (0.52) HTR2BNPY5RMAPT
Hydrochloric Acid SCHEMBL2885606 0.76 PDE10A (0.45) HTR2BTRPC3PDE10ANPY5RTP53
Hydrochloric Acid SCHEMBL2885610 0.76 PDE10A (0.45) HTR2BTRPC3PDE10ANPY5RTP53
SCHEMBL2886429 0.73 TRPC3 (0.45) HTR2BTRPC3NPY5RMAPTTP53

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 112/4885IKBKB 3214/4885CHUK 1287/4885

“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.