SCHEMBL3548246

SCHEMBL3548246

Nc1ccccc1C1CC2CCC1CC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 6/20 0.34
HRH3 Q9Y5N1 5/20 0.34
KDM1A O60341 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1B Q8NB78 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL3152480 0.91 MEN1 (0.41) KDM1ACYP3A4ALOX15CASP1CASP7
SCHEMBL1085944 0.78 CYP3A4 (0.35) HTR2CHTR2BKDM1ACYP3A4ALOX15
SCHEMBL3689578 0.78 CYP3A4 (0.35) HTR2CHTR2BKDM1ACYP3A4ALOX15
SCHEMBL3684020 0.78 CYP3A4 (0.35) HTR2CHTR2BKDM1ACYP3A4ALOX15
SCHEMBL1802723 0.78 CYP3A4 (0.35) HTR2CHTR2BKDM1ACYP3A4ALOX15
SCHEMBL3682416 0.78 CYP3A4 (0.35) HTR2CHTR2BKDM1ACYP3A4ALOX15
SCHEMBL9467530 0.75 MEN1 (0.47) HTR2AHTR2CHTR2BHRH3SMN1; SMN2
SCHEMBL3289791 0.74 CYP3A4 (0.35) KDM1ACYP3A4ALOX15CASP1CASP7
SCHEMBL3296218 0.72 CYP3A4 (0.36) KDM1ACYP3A4ALOX15CASP1CASP7
SCHEMBL10740303 0.71 SLC6A3 (0.50) HTR2AHTR2CHTR2BKDM1ACYP3A4

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
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO claimed
US-7652059-B2 1-methyl-4-trifluoromethyl-1H-pyrrole-3-carboxylic acid [2-(1,3-dimethylbutyl)phenyl]amide; protecting plants against infestation by phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. (US) 2010-01-26 US disclosed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 EP disclosed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US disclosed
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 US disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US disclosed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP disclosed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 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-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 HTR2A 3856/4885HTR2C 2463/4885HTR2B 2597/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 HTR2A 3753/4885HTR2C 2275/4885HTR2B 2627/4885

“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.