SCHEMBL4133494

SCHEMBL4133494

O=C(O)N1C(=O)CC[C@@H]1c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.46
HCRTR2 O43614 6/20 0.46
PDE5A O76074 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
SCD5 Q86SK9 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
P2RY14 Q15391 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GRM2 Q14416 1/20 0.37
DHODH Q02127 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL6701246 1.00 HCRTR1 (0.46) HCRTR1HCRTR2PDE5AL3MBTL1AURKA
SCHEMBL7193226 0.85 GPR119 (0.50) HCRTR1HCRTR2PDE5AL3MBTL1SCD5
SCHEMBL4149720 0.84 HCRTR1 (0.46) HCRTR1HCRTR2PDE5AL3MBTL1AURKA
SCHEMBL7194164 0.84 HCRTR1 (0.46) HCRTR1HCRTR2PDE5AL3MBTL1AURKA
SCHEMBL5620456 0.81 LIPE (0.47) HCRTR1HCRTR2PDE5AL3MBTL1SCD5
SCHEMBL7043551 0.80 AKR1C3 (0.38) HCRTR1HCRTR2L3MBTL1
SCHEMBL7077843 0.76 PDE5A (0.43) HCRTR1HCRTR2PDE5AL3MBTL1AURKA
SCHEMBL7040949 0.76 CA2 (0.40) L3MBTL1
SCHEMBL4142332 0.75 HCRTR1 (0.48) HCRTR1HCRTR2L3MBTL1
SCHEMBL4135463 0.74 HCRTR1 (0.48) HCRTR1HCRTR2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012144-A1 Optically active 2,5-bisaryl-delta¹ -pyrrolines and their use as pest control agents PLANT ANDREW 2009-01-08 US disclosed
US-7419936-B2 Optically active 2,5-bisaryl-Δ1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2008-09-02 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

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-20090012144-A1 Optically active 2,5-bisaryl-delta¹ -pyrrolines and their use as pest control agents PLD1, RPS3A, AMY1A HCRTR1 1051/4885HCRTR2 2329/4885PDE5A 811/4885
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents DDT, CRY1, PLD1 HCRTR1 525/4885HCRTR2 1235/4885PDE5A 919/4885

“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.