SCHEMBL1827400

SCHEMBL1827400

CC(C)(C)N(C(=O)O)C1CCc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.40
CAMK2A Q9UQM7 1/20 0.40
SRD5A2 P31213 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KDM1A O60341 2/20 0.33
CCR2 P41597 1/20 0.32
KIF11 P52732 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL18497279 0.89 ACHE (0.40) SRD5A1CAMK2ASRD5A2ACHE
SCHEMBL2576333 0.83 MAPT (0.39) SRD5A1SRD5A2
SCHEMBL22500700 0.82 SRD5A1 (0.43) SRD5A1CAMK2ASRD5A2TRPV1PDK1
SCHEMBL2284752 0.80 RIPK1 (0.43) SRD5A1SRD5A2
SCHEMBL2283134 0.80 RIPK1 (0.43) SRD5A1SRD5A2
SCHEMBL192338 0.80 RAB9A (0.48)
SCHEMBL17312390 0.79 MEN1 (0.39) SRD5A1PDK1PDK2PDK3PDK4
SCHEMBL17312415 0.78 CMA1 (0.39) ACHE
SCHEMBL17312416 0.78 CMA1 (0.39) ACHE
SCHEMBL589241 0.77 FAAH (0.40) SRD5A1SRD5A2ACHE

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
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011128299-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 WO disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 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 (1 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-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ SRD5A1 3237/4885CAMK2A 3344/4885SRD5A2 3418/4885

“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.