SCHEMBL4139541

SCHEMBL4139541

O=C1CC[C@H](c2ccc(Br)cc2)N1[C@H](CCl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
RORC P51449 1/20 0.36
MAPT P10636 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MDM2 Q00987 1/20 0.34
SLC18A3 Q16572 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RNF114 Q9Y508 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL27623497 1.00 RAB9A (0.38) RAB9ANPC1RORCMAPTCHRM2
SCHEMBL4140833 0.89 MEN1 (0.40) RAB9ANPC1RORCMAPTSLC18A3
SCHEMBL27623824 0.89 MEN1 (0.40) RAB9ANPC1RORCMAPTSLC18A3
SCHEMBL23878309 0.87 HCRTR2 (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL22039440 0.87 HCRTR2 (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL23878312 0.87 HCRTR2 (0.39) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL7133436 0.79 HCRTR1 (0.49) CHRM2CHRM1
SCHEMBL4142002 0.79 HCRTR1 (0.49) CHRM2CHRM1
SCHEMBL28397854 0.76 MEN1 (0.40) MEN1KMT2AL3MBTL1
SCHEMBL23878277 0.76 MEN1 (0.40) MEN1KMT2AL3MBTL1

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 4 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
CN-1630634-A Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2005-06-22 CN 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 RAB9A 392/4885NPC1 4246/4885RORC 2213/4885
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents DDT, CRY1, PLD1 RAB9A 84/4885NPC1 3907/4885RORC 1351/4885

“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.