SCHEMBL1999696

SCHEMBL1999696

Cc1cccc2c1CCC2NC(=O)N(S)CCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
PDE10A Q9Y233 1/20 0.42
TAS1R3 Q7RTX0 6/20 0.41
TAS1R1 Q7RTX1 6/20 0.41
TAS1R2 Q8TE23 6/20 0.41
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ACHE P22303 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.35
DRD4 P21917 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
SCHEMBL3209924 0.88 PDE10A (0.41) PDE10ATAS1R3TAS1R1TAS1R2ACHE
SCHEMBL3219218 0.82 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2ACHEDRD4
SCHEMBL3219949 0.80 ALDH1A1 (0.53) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3210493 0.77 ALDH1A1 (0.62) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL4711698 0.76 TRPV1 (0.53) TRPV1PDE10ATAS1R3TAS1R1TAS1R2
SCHEMBL16709695 0.75 TRPV1 (0.52) TRPV1PDE10ATAS1R3TAS1R1TAS1R2
SCHEMBL3223116 0.75 PDE10A (0.41) TRPV1PDE10ATAS1R3TAS1R1TAS1R2
SCHEMBL3209469 0.74 PDE10A (0.41) PDE10ATAS1R3TAS1R1TAS1R2ACHE
SCHEMBL1999695 0.72 KMT2A (0.46) TRPV1PDE10ATAS1R3TAS1R1TAS1R2
SCHEMBL4016100 0.71 TRPV1 (0.51) TRPV1PDE10ATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 US disclosed
US-7960310-B2 Method of combating and controlling insects SYNGENTA PARTICIPATIONS AG (CH) 2011-06-14 US disclosed
EP-1919886-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-10-06 EP disclosed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 US disclosed
EP-1919886-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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-20080300285-A1 Chemical Compounds CHRM5, OR10J3, CHRM3 TRPV1 2039/4885PDE10A 1911/4885TAS1R3 34/4885
US-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 TRPV1 193/4885PDE10A 1000/4885TAS1R3 816/4885
US-20110218341-A1 CHEMICAL COMPOUNDS OR10J3, NR0B1, NR0B2 TRPV1 2233/4885PDE10A 2389/4885TAS1R3 48/4885

“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.