SCHEMBL1689704

SCHEMBL1689704

FC(=Cc1ccc(Cl)cc1)CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
GSK3B P49841 1/20 0.41
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.37
GRIK1 P39086 1/20 0.37
CYP1A2 P05177 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL1689703 1.00 TRPA1 (0.44) TRPA1GSK3BFBP1ALDH1A1HTT
SCHEMBL1689621 0.81 TRPA1 (0.41) TRPA1FBP1ALDH1A1HTTHSD17B10
SCHEMBL1689623 0.81 TRPA1 (0.41) TRPA1FBP1ALDH1A1HTTHSD17B10
SCHEMBL1689625 0.81 TRPA1 (0.41) TRPA1FBP1ALDH1A1HTTHSD17B10
SCHEMBL7152887 0.79 ALDH1A1 (0.44) TRPA1ALDH1A1HSD17B10
SCHEMBL7152890 0.79 ALDH1A1 (0.44) TRPA1ALDH1A1HSD17B10
SCHEMBL9260964 0.78 AKR1C3 (0.43) GSK3BFBP1ALDH1A1HTTCYP2C9
SCHEMBL9260971 0.78 AKR1C3 (0.43) GSK3BFBP1ALDH1A1HTTCYP2C9
SCHEMBL29043108 0.75 TRPA1 (0.47) TRPA1FBP1ALDH1A1HTTHSD17B10
SCHEMBL9260320 0.75 IDO1 (0.39) TRPA1FBP1ALDH1A1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 US disclosed
EP-1515969-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES Syngenta Limited (GB) 2005-03-23 EP disclosed
WO-2003106457-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2003-12-24 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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 TRPA1 31/4885GSK3B 3481/4885FBP1 4228/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 TRPA1 30/4885GSK3B 3096/4885FBP1 4340/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 TRPA1 31/4885GSK3B 3481/4885FBP1 4228/4885

“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.