SCHEMBL5218292

SCHEMBL5218292

Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.38
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KIF11 P52732 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
KDM1A O60341 5/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
KDM1B Q8NB78 1/20 0.33
PTGES O14684 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4142328 1.00 NOS3 (0.40) NOS3NOS2TAAR1NPC1RAB9A
SCHEMBL14457975 0.96 NOS3 (0.37) NOS3NOS2TAAR1NPC1RAB9A
SCHEMBL14457936 0.86 NOS3 (0.50) NOS3NOS2TAAR1KIF11MAPT
SCHEMBL14588923 0.85 KDM1A (0.33) NOS3NOS2KDM1AMAOBPTGES
SCHEMBL14540777 0.85 NOS3 (0.40) NOS3NOS2TAAR1KIF11MAOB
SCHEMBL6843372 0.85 NOS3 (0.40) NOS3NOS2TAAR1NPC1RAB9A
SCHEMBL14540973 0.85 NOS3 (0.40) NOS3NOS2KIF11NOS1
SCHEMBL7043206 0.85 NOS3 (0.40) NOS3NOS2KIF11MAOBNOS1
SCHEMBL14063637 0.85 NOS3 (0.40) NOS3NOS2TAAR1KIF11MAOB
SCHEMBL14588993 0.84 NOS3 (0.34) NOS3NOS2NPC1RAB9ANFKB1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429607-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-04-04 EP disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
EP-1448549-B1 DELTA1-PYRROLINES BAYER CROPSCIENCE AG (DE) 2006-11-15 EP disclosed
US-7115603-B2 A1-pyrrolines BAYER CROPSCIENCE AG (DE) 2006-10-03 US disclosed
US-7074785-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-07-11 US disclosed
US-20060142369-A1 Delta 1-pyrrolines used as pesticides SEITZ THOMAS 2006-06-29 US disclosed
US-20050228028-A1 A1-pyrrolines BAYER CROPSCIENCE AG (DE) 2005-10-13 US disclosed
EP-1347957-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2005-09-07 EP disclosed
WO-2003064386-A1 DELTA1-PYRROLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-08-07 WO disclosed
EP-1322605-A1 METHOD FOR PRODUCING DELTA 1-PYRROLINES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
EP-1322606-A1 METHOD FOR PRODUCING DELTA 1 -PYRROLINES Bayer CropScience AG (DE) 2003-07-02 EP disclosed
WO-2003040132-A1 Δ1-PYRROLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed
WO-2003040130-A1 $g(D)1-PYRROLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed
WO-2003040092-A2 $g(D)1-PYRROLINES BAYER AKTIENGESELLSCHAFT (DE) 2003-05-15 WO disclosed
WO-2002081489-A1 PALLADIUM-COMPLEXES BASED ON PYRROLINE-METAL COMPLEXES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO disclosed
WO-2002046151-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-06-13 WO disclosed
WO-2002024642-A1 METHOD FOR PRODUCING Δ1-PYRROLINES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO disclosed
WO-2002024645-A1 METHOD FOR PRODUCING DELTA 1-PYRROLINES BAYER CROPSCIENCE AG (DE) 2002-03-28 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-20060142369-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, OPRD1 NOS3 792/4885NOS2 1085/4885TAAR1 215/4885
US-20050228028-A1 A1-pyrrolines CHRM1, CYC1, DDT NOS3 1244/4885NOS2 1219/4885TAAR1 101/4885

“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.