SCHEMBL2177129

SCHEMBL2177129

CC(NC(=O)CC1CC1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 1/20 0.53
PRCP P42785 1/20 0.52
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ACACB O00763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL14246067 1.00 POLB (0.58) POLBALDH1A1PRCPKMT2ANPC1
SCHEMBL2409595 0.84 HDAC6 (0.49) ALDH1A1ACACBSMN1; SMN2
SCHEMBL2408590 0.79 HDAC6 (0.51) POLBKMT2ANPC1RAB9AACACB
SCHEMBL9953212 0.79 ALDH1A1 (0.60) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL1697716 0.79 ALDH1A1 (0.60) POLBALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL2178915 0.79 ALDH1A1 (0.60) POLBALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL1697719 0.79 ALDH1A1 (0.60) POLBALDH1A1KMT2AACACBSMN1; SMN2
SCHEMBL10066478 0.79 ALDH1A1 (0.60) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL7929055 0.78 ALDH1A1 (0.58) POLBALDH1A1KMT2ASMN1; SMN2NPSR1
SCHEMBL9989339 0.77 POLB (0.47) POLBALDH1A1PRCPKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844299-B Desinsection aryl-pyrrolidine alkane BAYER CROPSCIENCE AG (DE) 2016-03-30 CN disclosed
EP-2519499-B1 PESTICIDAL ARYLPYRROLIDINES BAYER IP GMBH (DE) 2013-09-18 EP disclosed
US-8536201-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-17 US disclosed
US-20120322833-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
EP-2519499-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2012-11-07 EP disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 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 (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-20120322833-A1 Pesticidal Arylpyrrolidines DDT, CYP4X1, CHRM2 POLB 4785/4885ALDH1A1 1542/4885PRCP 139/4885

“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.