SCHEMBL1554586

SCHEMBL1554586

O=C(c1cccc(Br)n1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GNE Q9Y223 1/20 0.50
HTR2C P28335 5/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4A O75164 1/20 0.47
CYP1A2 P05177 1/20 0.47
ERN1 O75460 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL30911663 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL30911660 1.00 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL5237 0.85 GNE (0.68) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL2532948 0.84 GNE (0.66) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL1579475 0.83 GNE (0.55) RAB9ASMN1; SMN2GNEALDH1A1TP53
SCHEMBL947448 0.81 HTR2C (0.54) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL3239132 0.81 HTR2C (0.54) RAB9ANPC1SMN1; SMN2GNEHTR2C
SCHEMBL2594231 0.81 GNE (0.50) SMN1; SMN2GNEALDH1A1TP53MAPK1
SCHEMBL7159 0.81 IRAK4 (0.50) RAB9ANPC1SMN1; SMN2GNEALDH1A1
SCHEMBL30149935 0.81 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GNEHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
EP-2488030-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE Bayer CropScience AG (DE) 2012-08-22 EP disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
CN-101124232-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 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 (3 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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE RAB9A 1143/4885NPC1 3961/4885SMN1; SMN2 1914/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE RAB9A 1143/4885NPC1 3961/4885SMN1; SMN2 1914/4885
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 RAB9A 1451/4885NPC1 1159/4885SMN1; SMN2 1210/4885

“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.