SCHEMBL4135463

SCHEMBL4135463

O=C1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N1[C@H](CO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.48
HCRTR2 O43614 11/20 0.48
OPRK1 P41145 3/20 0.46
OPRM1 P35372 1/20 0.44
CHRM4 P08173 1/20 0.43
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CETP P11597 1/20 0.37
GRIN2B Q13224 2/20 0.36

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
SCHEMBL7138721 1.00 HCRTR1 (0.48) HCRTR1HCRTR2OPRK1OPRM1CHRM4
SCHEMBL7138725 1.00 HCRTR1 (0.48) HCRTR1HCRTR2OPRK1OPRM1CHRM4
SCHEMBL4142002 0.91 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1OPRM1CHRM2
SCHEMBL7133436 0.91 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1OPRM1CHRM2
SCHEMBL23878277 0.81 MEN1 (0.40) HCRTR2OPRK1
SCHEMBL22039444 0.81 MEN1 (0.40) HCRTR2OPRK1
SCHEMBL28397854 0.81 MEN1 (0.40) HCRTR2OPRK1
SCHEMBL4140833 0.79 MEN1 (0.40)
SCHEMBL27623824 0.79 MEN1 (0.40)
SCHEMBL938214 0.75 HCRTR1 (0.40) HCRTR1HCRTR2OPRK1

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 2329/4885OPRK1 359/4885
US-20040059129-A1 Optically active 2,5-bisaryl-delta1-pyrrolines and their use as pest control agents DDT, CRY1, PLD1 HCRTR1 525/4885HCRTR2 1235/4885OPRK1 205/4885

“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.