SCHEMBL861738

SCHEMBL861738

[C-]#[N+]Cc1ccc(CNC)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 4/20 0.35
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
SNCA P37840 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL925819 0.81 GABRA1 (0.33) SNCA
SCHEMBL855886 0.78 PKM (0.41) HTR2A
SCHEMBL925505 0.73 HPGD (0.35)
SCHEMBL28879829 0.72 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL318499 0.69 KDM4E (0.44)
SCHEMBL29953131 0.69 KDM4E (0.44)
SCHEMBL31378001 0.69 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL980220 0.69 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL1937100 0.69 ALDH1A1 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL5398528 0.66 LOXL2 (0.43) SLC6A4SLC6A2SLC6A3HTR2ALOXL2

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-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-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 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
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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 (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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 SLC6A4 4792/4885SLC6A2 3511/4885SLC6A3 3986/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SLC6A4 4821/4885SLC6A2 3859/4885SLC6A3 4258/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 SLC6A4 4821/4885SLC6A2 3859/4885SLC6A3 4258/4885

“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.