SCHEMBL5643304

SCHEMBL5643304

O=C1CCCN1c1ccc(Cl)nn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CNR2 P34972 1/20 0.47
BPTF Q12830 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PARP1 P09874 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 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
SCHEMBL18288396 0.79 CNR2 (0.41) CYP1A2CNR2ALDH1A1KMT2AMEN1
SCHEMBL22575267 0.79 ALDH1A1 (0.48) CNR2LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL28483573 0.76 CNR2 (0.38) CNR2LMNAALDH1A1KMT2AMEN1
SCHEMBL26685500 0.75 CNR2 (0.49) CYP1A2CNR2ALDH1A1KMT2AMEN1
SCHEMBL31300141 0.74 MAPK1 (0.41) CNR2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9367582 0.72 ALDH1A1 (0.40) CYP1A2CNR2ALDH1A1KMT2AMEN1
SCHEMBL7492215 0.71 CYP1A2 (0.65) CYP1A2BPTFLMNAHTTALDH1A1
SCHEMBL2931849 0.71 ALDH1A1 (0.39) CYP1A2CNR2ALDH1A1KMT2AMEN1
SCHEMBL30731050 0.71 ALDH1A1 (0.50) CYP1A2CNR2ALDH1A1KMT2AMEN1
SCHEMBL3605010 0.71 ALDH1A1 (0.50) CYP1A2CNR2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1307155-C Delta as pesticide1-pyrrolines BAYER CROPS SCIENCES GMBH (DE) 2007-03-28 CN disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
EP-1347957-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2005-09-07 EP disclosed
US-20040082586-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-29 US disclosed
CN-1487920-A Deltal-pyrrolines used as pesticides �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-04-07 CN disclosed
EP-1347957-A1 DELTA 1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-10-01 EP disclosed
WO-2002046151-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-06-13 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-20040082586-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, PRMT1 CYP1A2 335/4885CNR2 1274/4885BPTF 4802/4885

“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.