SCHEMBL3549036

SCHEMBL3549036

c1ccc(NC2CC3CCC2C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2A P29274 1/20 0.49
GPR183 P32249 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.44
EPHX2 P34913 1/20 0.43
HSD17B10 Q99714 1/20 0.42
BRS3 P32247 1/20 0.42
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
P2RX7 Q99572 1/20 0.41
HSP90AA1 P07900 2/20 0.41

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
SCHEMBL7107008 1.00 CNR2 (0.51) CNR2L3MBTL1ADORA3ADORA1ADORA2A
SCHEMBL8619535 0.83 ADORA3 (0.49) CNR2L3MBTL1ADORA3ADORA1ADORA2A
SCHEMBL11696118 0.75 ALDH1A1 (0.64) L3MBTL1HPGDSMN1; SMN2EPHX2HSD17B10
SCHEMBL11695375 0.75 L3MBTL1 (0.52) L3MBTL1HPGDSMN1; SMN2EPHX2HSD17B10
SCHEMBL29560792 0.74 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183GBA1
SCHEMBL15102267 0.74 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183GBA1
SCHEMBL15124922 0.74 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183GBA1
SCHEMBL19068532 0.74 NPC1 (0.49) ADORA3ADORA1ADORA2AGPR183HPGD
SCHEMBL16391919 0.73 ABCG2 (0.49) ADORA3ADORA1ADORA2AGPR183GBA1
SCHEMBL6483634 0.73 CNR2 (0.43) CNR2HPGDSMN1; SMN2GBA1HSD17B10

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-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
EP-1558592-A1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES Bayer CropScience Aktiengesellschaft (DE) 2005-08-03 EP disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US disclosed
WO-2004039789-A1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-05-13 WO disclosed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP disclosed
EP-0909762-B1 Binuclear Iridium(I) phosphine complexes and their use as catalysts for the asymmetric hydroamination of olefins LONZA AG (CH) 2003-04-09 EP disclosed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO disclosed
EP-0909762-A2 Binuclear Iridium(I) phosphine complexes and their use as catalysts for the asymmetric hydroamination of olefins LONZA A.G. (CH) 1999-04-21 EP 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 CNR2 49/4885L3MBTL1 469/4885ADORA3 1637/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 CNR2 53/4885L3MBTL1 332/4885ADORA3 1669/4885

“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.