SCHEMBL5889322

SCHEMBL5889322

O=C1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
NOTUM Q6P988 1/20 0.40
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
SCN5A Q14524 1/20 0.39
KIF11 P52732 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
GRM2 Q14416 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL4148437 1.00 GRIN2B (0.49) GRIN2BL3MBTL1PDE4APDE4BPDE4C
SCHEMBL5620504 0.96 GRIN2B (0.46) GRIN2BL3MBTL1PDE4APDE4BPDE4C
SCHEMBL14458017 0.89 AR (0.43) GRIN2BL3MBTL1GRM2MMP2MMP9
SCHEMBL13945021 0.88 PDE4A (0.40) GRIN2BL3MBTL1PDE4APDE4BPDE4C
SCHEMBL14474703 0.88 PDE4A (0.40) GRIN2BL3MBTL1PDE4APDE4BPDE4C
SCHEMBL14063609 0.82 DRD2 (0.40) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL14458018 0.80 CRBN (0.40) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL5620196 0.78 KIF11 (0.39) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL13945017 0.78 KIF11 (0.39) PDE4APDE4BPDE4CPDE4DKIF11
SCHEMBL14458012 0.77 POLB (0.57) PDE4APDE4BPDE4CPDE4DNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7250521-B2 Method for production of Δ1-pyrrolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2007-07-31 US disclosed
US-7122506-B2 Cyclic imines as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2006-10-17 US disclosed
EP-1077938-B1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-04-13 EP disclosed
US-20040186287-A1 Cyclic imines as pesticides PLANT ANDREW (DE) 2004-09-23 US disclosed
EP-1080072-B1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-08-04 EP disclosed
US-6770595-B2 ACTIVITY AGAINST ARTHROPODS IN AGRICULTURE AND PARASITES ENCOUNTERED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2004-03-25 US disclosed
US-20030220517-A1 Method for producing ketocarboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2003-11-27 US disclosed
US-6632833-B1 Their preparation and to their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6399771-B1 AGRICULTURE; VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-6274613-B1 APPLYING COMPOUNDS SUCH AS A GAMMA-ETHOXY-GAMMA-BUTYROLACTAM TO PESTS AND/OR THEIR HABITATS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
EP-1121357-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-08 EP disclosed
EP-1080072-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-03-07 EP disclosed
EP-1077938-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AG (DE) 2001-02-28 EP disclosed
WO-2000021958-A1 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-20 WO disclosed
WO-1999059967-A1 2-(2-METHYLPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999059968-A1 2-(2-CHLOROPHENYL)-3,4-DIHYDRO-2H-PYRROL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0942901-A1 CYCLIC IMINES AS PESTICIDES BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998022438-A1 CYCLIC IMINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-28 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 (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-20030220517-A1 Method for producing ketocarboxylic acid derivatives CYP2F1, HK1, FBP1 GRIN2B 1519/4885L3MBTL1 4328/4885PDE4A 3966/4885
US-20040186287-A1 Cyclic imines as pesticides DDT, CYP1A1, AR GRIN2B 654/4885L3MBTL1 1810/4885PDE4A 743/4885
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents DDT, CRY1, PLD1 GRIN2B 1588/4885L3MBTL1 224/4885PDE4A 546/4885

“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.