SCHEMBL4864617

SCHEMBL4864617

CN1CCN(Cc2nc(C(F)(F)F)ccc2C(=O)C2C(=O)CCCC2=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
GRM2 Q14416 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
CYP11B2 P19099 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL14017806 0.84 SLC6A12 (0.33) GRM2CYP11B2
SCHEMBL4859086 0.84 GRM2 (0.36) GRM2CACNA1GCACNA1HCACNA1IPRMT5
SCHEMBL4853073 0.81 TUBB4A (0.41) GRM2
SCHEMBL17865299 0.80 HPD (0.47) HPD
SCHEMBL14344337 0.76 HPD (0.44) HPD
SCHEMBL14344387 0.76 HPD (0.50) HPD
SCHEMBL14044665 0.74 GRM2 (0.30) GRM2
SCHEMBL10080579 0.74 HPD (0.42) HPD
SCHEMBL115363 0.73 HPD (0.41) HPD
SCHEMBL17400859 0.72 HPD (0.42) HPD

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-8216975-B2 Method of labelling soya varieties Syngenta Crop Protection Inc (US) 2012-07-10 US disclosed
US-8216975-B2 Method of labelling soya varieties Syngenta Crop Protection Inc (US) 2012-07-10 US disclosed
US-20100305095-A1 Use of HPPD Inhibitors in the Treatment of Depression and/or Withdrawal Symptoms Associated with Addictive Drugs SYNGENTA LIMITED (GB) 2010-12-02 US disclosed
US-20100305095-A1 Use of HPPD Inhibitors in the Treatment of Depression and/or Withdrawal Symptoms Associated with Addictive Drugs SYNGENTA LIMITED (GB) 2010-12-02 US disclosed
US-20090326072-A1 USE OF 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-l,3- CYCLOHEXANEDIONE IN THE TREATMENT OF PARKINSON'S DISEASE SYNGENTA LIMITED (GB) 2009-12-31 US disclosed
US-20090326072-A1 USE OF 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-l,3- CYCLOHEXANEDIONE IN THE TREATMENT OF PARKINSON'S DISEASE SYNGENTA LIMITED (GB) 2009-12-31 US disclosed
US-7439207-B2 2,6 substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
US-7439207-B2 2,6 substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
WO-2008020150-A1 USE OF HPPD INHIBITORS IN THE TREATMENT OF DEPRESSION AND/OR WITHDRAWAL SYMPTOMS ASSOCIATED WITH ADDICTIVE DRUGS SYNGENTA LIMITED (GB) 2008-02-21 WO disclosed
US-20050020451-A1 2,6 Substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2005-01-27 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 (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-20100305095-A1 Use of HPPD Inhibitors in the Treatment of Depression and/or Withdrawal Symptoms Associated with Addictive Drugs HPD, PGD, PEPD HPD 1/4885GRM2 121/4885TRPV1 3870/4885
US-20050020451-A1 2,6 Substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action PDHX, PRDX6, CBR3 HPD 22/4885GRM2 611/4885TRPV1 4076/4885
US-20090326072-A1 USE OF 2-(2-NITRO-4-TRIFLUOROMETHYLBENZOYL)-l,3- CYCLOHEXANEDIONE IN THE TREATMENT OF PARKINSON'S DISEASE SNCA, PARK7, NLN HPD 204/4885GRM2 410/4885TRPV1 945/4885

“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.