SCHEMBL855046

SCHEMBL855046

[C-]#[N+]Cc1ccc(C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP2A6 P11509 3/20 0.41
DAO P14920 1/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPBWR1 P48145 1/20 0.32
CASP1 P29466 1/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL855419 0.78 LOXL2 (0.42) CYP2A6
SCHEMBL8816153 0.76 CYP1A2 (0.65) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL29957198 0.74 TAAR1 (0.46) ALDH1A1TSHRMAPT
SCHEMBL376960 0.74 TAAR1 (0.46) ALDH1A1TSHRMAPT
SCHEMBL7754391 0.74 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL9519292 0.74 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL30975074 0.74 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL704071 0.73 CYP1A2 (0.54) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL3078326 0.72 CYP1A2 (0.59) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL2454747 0.72 CYP1A2 (0.59) CYP1A2CYP2A6DAOALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP1A2 3/4885CYP2A6 48/4885DAO 975/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CYP1A2 3/4885CYP2A6 48/4885DAO 975/4885

“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.