SCHEMBL20876129

SCHEMBL20876129

CC(=O)C(C)n1ccc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TP53 P04637 2/20 0.43
OXER1 Q8TDS5 1/20 0.43
RXFP1 Q9HBX9 1/20 0.37
NPY5R Q15761 1/20 0.36
KMO O15229 3/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PHGDH O43175 4/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL16234662 0.88 KMO (0.46) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL22798770 0.88 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL22798768 0.88 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL22798937 0.88 SLC6A2 (0.48) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL2007680 0.86 HTR2A (0.49) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL13980998 0.83 HTR2A (0.45) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL598834 0.80 HTR2A (0.54) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL20876087 0.78 SLC6A2 (0.50) HTR2AHTR2CSLC6A2SLC6A4TP53
SCHEMBL10203775 0.77 NOTUM (0.53) SLC6A2SLC6A4
SCHEMBL1576677 0.75 KMO (0.49) HTR2AHTR2CSLC6A2SLC6A4OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629138-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2023-04-18 US disclosed
EP-3692029-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-04-12 EP disclosed
CN-111194314-B Microbicidal pyridine amide derivative 先正达参股股份有限公司 2022-12-30 CN disclosed
US-20200255400-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
US-20200255400-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 US disclosed
EP-3692029-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-08-12 EP disclosed
CN-111194314-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-22 CN disclosed
WO-2019068809-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 WO disclosed
WO-2019068809-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 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 (2 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-20200255400-A1 Microbiocidal Picolinamide Derivatives PRF1, CASP1, FPR1 HTR2A 1946/4885HTR2C 2046/4885SLC6A2 3920/4885
US-11629138-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 HTR2A 1946/4885HTR2C 2046/4885SLC6A2 3920/4885

“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.