SCHEMBL4466746

SCHEMBL4466746

Brc1coc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 2/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
GRM5 P41594 1/20 0.42
RAB9A P51151 10/20 0.41
NPC1 O15118 9/20 0.41
TP53 P04637 6/20 0.41
PKM P14618 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41

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
SCHEMBL25383209 0.78 CCR1 (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27624023 0.75 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6194050 0.74 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL24724390 0.71 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12100428 0.70 ALDH1A1 (0.42) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL3076222 0.69 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9958239 0.68 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9958124 0.68 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31252166 0.68 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2138914 0.68 CCR1 (0.64) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN disclosed
US-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-07-13 US disclosed
EP-1654264-A1 SPIRO [1-AZABICYCLO [2.2.2]OCTANE-3,5'-OXAZOLIDIN-2'-ONE] DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005005435-A1 SPIRO ′1-AZABICYCLO ′2.2.2!OCTAN-3,5′-OXAZOLIDIN -2′-ONE! DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-01-20 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-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor CHRNA1, CHRNA7, ADRA1D KDM4E 4326/4885LMNA 2353/4885CCR1 942/4885

“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.